# generated using pymatgen data_Cr3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66873344 _cell_length_b 6.41718486 _cell_length_c 6.93023965 _cell_angle_alpha 116.06215390 _cell_angle_beta 105.34856040 _cell_angle_gamma 90.00000018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3Se4 _chemical_formula_sum 'Cr3 Se4' _cell_volume 140.06106020 _cell_formula_units_Z 1 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 Cr Cr0 1 0.50000374 0.50000583 0.00000647 1.0 Cr Cr1 1 0.23817142 0.21956228 0.47634384 1.0 Cr Cr2 1 0.76183215 0.78044462 0.52366429 1.0 Se Se3 1 0.86536306 0.52138655 0.73072912 1.0 Se Se4 1 0.13464078 0.47863155 0.26928055 1.0 Se Se5 1 0.37604702 0.04859067 0.75209205 1.0 Se Se6 1 0.62394184 0.95137750 0.24788567 1.0