# generated using pymatgen data_LuZrNi12As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26404968 _cell_length_b 9.26405031 _cell_length_c 3.73280134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999424 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuZrNi12As7 _chemical_formula_sum 'Lu1 Zr1 Ni12 As7' _cell_volume 277.43887460 _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 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni2 1 0.48651172 0.94833670 0.00000000 1.0 Ni Ni3 1 0.05166330 0.53817501 0.00000000 1.0 Ni Ni4 1 0.46182499 0.51348828 0.00000000 1.0 Ni Ni5 1 0.71223140 0.09482802 0.50000000 1.0 Ni Ni6 1 0.90517198 0.61740438 0.50000000 1.0 Ni Ni7 1 0.38259562 0.28776860 0.50000000 1.0 Ni Ni8 1 0.77327847 0.72389113 0.00000000 1.0 Ni Ni9 1 0.27610887 0.04938633 0.00000000 1.0 Ni Ni10 1 0.95061367 0.22672153 0.00000000 1.0 Ni Ni11 1 0.54842552 0.76052277 0.50000000 1.0 Ni Ni12 1 0.23947723 0.78790275 0.50000000 1.0 Ni Ni13 1 0.21209725 0.45157448 0.50000000 1.0 As As14 1 0.33333300 0.66666700 0.00000000 1.0 As As15 1 0.44965905 0.08026545 0.50000000 1.0 As As16 1 0.91973455 0.36939360 0.50000000 1.0 As As17 1 0.63060640 0.55034095 0.50000000 1.0 As As18 1 0.73849023 0.95207449 0.00000000 1.0 As As19 1 0.04792551 0.78641574 0.00000000 1.0 As As20 1 0.21358426 0.26150977 0.00000000 1.0