_symmetry_space_group_name_H-M Pnnm loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,-y,z 3 1/2+x,1/2-y,1/2-z 4 1/2-x,1/2+y,1/2-z 5 -x,-y,-z 6 x,y,-z 7 1/2-x,1/2+y,1/2+z 8 1/2+x,1/2-y,1/2+z _cell_length_a 19.15527 _cell_length_b 15.13919 _cell_length_c 6.61648 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1918.74962 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy Zr1 Zr 0.816267 0.011632 0.000000 Uiso 0.025330 4 1.0 Zr2 Zr 0.113154 0.396008 0.000000 Uiso 0.025330 4 1.0 Zr3 Zr 0.780151 0.276178 0.000000 Uiso 0.025330 4 1.0 P1 P 0.651183 0.115769 0.000000 Uiso 0.025330 4 1.0 P2 P 0.226374 0.220037 0.000000 Uiso 0.025330 4 1.0 P3 P 0.275161 0.502361 0.000000 Uiso 0.025330 4 1.0 O1 O 0.706955 0.039440 0.000000 Uiso 0.025330 4 1.0 O2 O 0.682991 0.212064 0.000000 Uiso 0.025330 4 1.0 O3 O 0.160422 0.273140 0.000000 Uiso 0.025330 4 1.0 O4 O 0.198162 0.090186 0.000000 Uiso 0.025330 4 1.0 O5 O 0.729477 0.400502 0.000000 Uiso 0.025330 4 1.0 O6 O 0.831641 0.147726 0.000000 Uiso 0.025330 4 1.0 O7 O 0.609034 0.106319 0.171199 Uiso 0.025330 8 1.0 O8 O 0.888723 0.322726 0.000000 Uiso 0.025330 4 1.0 O9 O 0.312301 0.481591 0.178761 Uiso 0.025330 8 1.0 O10 O 0.272154 0.233322 0.170223 Uiso 0.025330 8 1.0 O11 O 0.927198 0.010748 0.000000 Uiso 0.025330 4 1.0 O12 O 0.922557 0.472499 0.000000 Uiso 0.025330 4 1.0 O13 O 0.215748 0.449427 0.000000 Uiso 0.025330 4 1.0 O14 O 0.500000 0.000000 0.000000 Uiso 0.025330 2 1.0 O15 O 0.002529 0.357593 0.000000 Uiso 0.025330 4 1.0 O16 O 0.938473 0.392337 0.056473 Uiso 0.025330 8 1.0