# generated using pymatgen data_PrCrSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97378937 _cell_length_b 8.18812469 _cell_length_c 13.77453414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCrSe3 _chemical_formula_sum 'Pr4 Cr4 Se12' _cell_volume 448.19417821 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr Pr0 1 0.25000000 0.90590884 0.32844455 1.0 Pr Pr1 1 0.75000000 0.59409116 0.82844455 1.0 Pr Pr2 1 0.25000000 0.40590884 0.17155545 1.0 Pr Pr3 1 0.75000000 0.09409116 0.67155545 1.0 Cr Cr4 1 0.25000000 0.66066065 0.55122951 1.0 Cr Cr5 1 0.75000000 0.83933935 0.05122951 1.0 Cr Cr6 1 0.25000000 0.16066065 0.94877049 1.0 Cr Cr7 1 0.75000000 0.33933935 0.44877049 1.0 Se Se8 1 0.75000000 0.98654543 0.89183322 1.0 Se Se9 1 0.25000000 0.01345457 0.10816678 1.0 Se Se10 1 0.75000000 0.48654543 0.60816678 1.0 Se Se11 1 0.25000000 0.80885327 0.71116400 1.0 Se Se12 1 0.75000000 0.69114673 0.21116400 1.0 Se Se13 1 0.25000000 0.30885327 0.78883600 1.0 Se Se14 1 0.75000000 0.19114673 0.28883600 1.0 Se Se15 1 0.25000000 0.65839828 0.99503293 1.0 Se Se16 1 0.75000000 0.84160172 0.49503293 1.0 Se Se17 1 0.25000000 0.15839828 0.50496707 1.0 Se Se18 1 0.75000000 0.34160172 0.00496707 1.0 Se Se19 1 0.25000000 0.51345457 0.39183322 1.0