# generated using pymatgen data_LuGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09193606 _cell_length_b 5.09193606 _cell_length_c 16.09711600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000078 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuGaNi2 _chemical_formula_sum 'Lu6 Ga6 Ni12' _cell_volume 361.44696722 _cell_formula_units_Z 6 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 0.33333300 0.66666700 0.96630900 1.0 Lu Lu1 1 0.66666700 0.33333300 0.03369100 1.0 Lu Lu2 1 0.66666700 0.33333300 0.46065900 1.0 Lu Lu3 1 0.33333300 0.66666700 0.53934100 1.0 Lu Lu4 1 0.33333300 0.66666700 0.74265200 1.0 Lu Lu5 1 0.66666700 0.33333300 0.25734800 1.0 Ga Ga6 1 0.83261700 0.16738300 0.86965200 1.0 Ga Ga7 1 0.83261700 0.66523400 0.86965200 1.0 Ga Ga8 1 0.33476600 0.16738300 0.86965200 1.0 Ga Ga9 1 0.16738300 0.83261700 0.13034800 1.0 Ga Ga10 1 0.16738300 0.33476600 0.13034800 1.0 Ga Ga11 1 0.66523400 0.83261700 0.13034800 1.0 Ni Ni12 1 0.33333300 0.66666700 0.25432900 1.0 Ni Ni13 1 0.66666700 0.33333300 0.74567100 1.0 Ni Ni14 1 0.00000000 0.00000000 0.25288800 1.0 Ni Ni15 1 0.00000000 0.00000000 0.74711200 1.0 Ni Ni16 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni17 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni18 1 0.16765500 0.83234500 0.37605000 1.0 Ni Ni19 1 0.16765500 0.33530900 0.37605000 1.0 Ni Ni20 1 0.66469100 0.83234500 0.37605000 1.0 Ni Ni21 1 0.83234500 0.16765500 0.62395000 1.0 Ni Ni22 1 0.83234500 0.66469100 0.62395000 1.0 Ni Ni23 1 0.33530900 0.16765500 0.62395000 1.0