_symmetry_space_group_name_H-M ??? loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,y,-z 3 -x,-y,-z 4 x,-y,z 5 1/2+x,1/2+y,z 6 1/2-x,1/2+y,-z 7 1/2-x,1/2-y,-z 8 1/2+x,1/2-y,z _cell_length_a 7.01920 _cell_length_b 8.40630 _cell_length_c 4.62640 _cell_angle_alpha 90.00000 _cell_angle_beta 108.61000 _cell_angle_gamma 90.00000 _cell_volume 258.70951 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 Cr1 Cr 0.000000 0.187773 0.500000 Uiso 0.025330 4 1.0 P1 P 0.307777 0.000000 0.085365 Uiso 0.025330 4 1.0 O1 O 0.304605 0.144265 0.263174 Uiso 0.025330 8 1.0 O2 O 0.860668 0.000000 0.220721 Uiso 0.025330 4 1.0 O3 O 0.472567 0.063570 0.041936 Uiso 0.025330 8 1.0