# generated using pymatgen data_Cr2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86117798 _cell_length_b 7.30139075 _cell_length_c 8.58488841 _cell_angle_alpha 90.45509465 _cell_angle_beta 104.35736851 _cell_angle_gamma 105.26225717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Se3 _chemical_formula_sum 'Cr8 Se12' _cell_volume 400.70810228 _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 Cr Cr0 1 0.49423703 0.24051670 0.02212302 1.0 Cr Cr1 1 0.81489763 0.56743039 0.33459640 1.0 Cr Cr2 1 0.17961669 0.90873518 0.67653550 1.0 Cr Cr3 1 0.50576297 0.75948330 0.97787698 1.0 Cr Cr4 1 0.82038331 0.09126482 0.32346450 1.0 Cr Cr5 1 0.18510237 0.43256961 0.66540360 1.0 Cr Cr6 1 0.83473458 0.32872629 0.82152594 1.0 Cr Cr7 1 0.16526542 0.67127371 0.17847406 1.0 Se Se8 1 0.77254442 0.07480724 0.02216356 1.0 Se Se9 1 0.10266858 0.40370628 0.36260949 1.0 Se Se10 1 0.45092240 0.74068675 0.68409930 1.0 Se Se11 1 0.22745558 0.92519276 0.97783644 1.0 Se Se12 1 0.54907760 0.25931325 0.31590070 1.0 Se Se13 1 0.89733142 0.59629372 0.63739051 1.0 Se Se14 1 0.55564404 0.76670473 0.28985095 1.0 Se Se15 1 0.91044266 0.10737316 0.63148657 1.0 Se Se16 1 0.22637808 0.43825388 0.97627331 1.0 Se Se17 1 0.44435596 0.23329527 0.71014905 1.0 Se Se18 1 0.77362192 0.56174612 0.02372669 1.0 Se Se19 1 0.08955734 0.89262684 0.36851343 1.0