# generated using pymatgen data_Lu6Zn23Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83765244 _cell_length_b 8.83765237 _cell_length_c 8.83765224 _cell_angle_alpha 59.99999696 _cell_angle_beta 59.99999721 _cell_angle_gamma 59.99999789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Zn23Se _chemical_formula_sum 'Lu6 Zn23 Se1' _cell_volume 488.08528711 _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 Lu Lu0 1 0.71699457 0.28300543 0.28300543 1.0 Lu Lu1 1 0.71699457 0.28300543 0.71699457 1.0 Lu Lu2 1 0.71699457 0.71699457 0.28300543 1.0 Lu Lu3 1 0.28300543 0.71699457 0.71699457 1.0 Lu Lu4 1 0.28300543 0.71699457 0.28300543 1.0 Lu Lu5 1 0.28300543 0.28300543 0.71699457 1.0 Zn Zn6 1 0.62605074 0.12464975 0.12464975 1.0 Zn Zn7 1 0.12464975 0.62605074 0.12464975 1.0 Zn Zn8 1 0.12464975 0.12464975 0.62605074 1.0 Zn Zn9 1 0.12464975 0.12464975 0.12464975 1.0 Zn Zn10 1 0.37394926 0.87535025 0.87535025 1.0 Zn Zn11 1 0.87535025 0.37394926 0.87535025 1.0 Zn Zn12 1 0.87535025 0.87535025 0.37394926 1.0 Zn Zn13 1 0.87535025 0.87535025 0.87535025 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn16 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn21 1 0.01248186 0.32917305 0.32917305 1.0 Zn Zn22 1 0.32917305 0.01248186 0.32917305 1.0 Zn Zn23 1 0.32917305 0.32917305 0.01248186 1.0 Zn Zn24 1 0.32917305 0.32917305 0.32917305 1.0 Zn Zn25 1 0.98751814 0.67082695 0.67082695 1.0 Zn Zn26 1 0.67082695 0.98751814 0.67082695 1.0 Zn Zn27 1 0.67082695 0.67082695 0.98751814 1.0 Zn Zn28 1 0.67082695 0.67082695 0.67082695 1.0 Se Se29 1 0.50000000 0.50000000 0.50000000 1.0