# generated using pymatgen data_Tb5Zr3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95229500 _cell_length_b 12.82241241 _cell_length_c 12.81802365 _cell_angle_alpha 120.01132886 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Zr3(Ni4As3)4 _chemical_formula_sum 'Tb5 Zr3 Ni16 As12' _cell_volume 562.49828805 _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 Tb Tb0 1 0.50000000 0.99997900 0.18311200 1.0 Tb Tb1 1 0.50000000 0.18298900 0.00000000 1.0 Tb Tb2 1 0.50000000 0.81686700 0.81688800 1.0 Tb Tb3 1 0.00000000 0.33346200 0.66670700 1.0 Tb Tb4 1 0.00000000 0.66675500 0.33329300 1.0 Zr Zr5 1 0.00000000 0.99986800 0.56193600 1.0 Zr Zr6 1 0.00000000 0.56229900 0.00000000 1.0 Zr Zr7 1 0.00000000 0.43793300 0.43806400 1.0 Ni Ni8 1 0.50000000 0.99989900 0.72272600 1.0 Ni Ni9 1 0.50000000 0.72286000 0.00000000 1.0 Ni Ni10 1 0.50000000 0.27717300 0.27727400 1.0 Ni Ni11 1 0.00000000 0.19340000 0.37590800 1.0 Ni Ni12 1 0.00000000 0.18266000 0.80665100 1.0 Ni Ni13 1 0.00000000 0.62412700 0.81768000 1.0 Ni Ni14 1 0.00000000 0.81749200 0.62409200 1.0 Ni Ni15 1 0.00000000 0.37600900 0.19334900 1.0 Ni Ni16 1 0.00000000 0.80644700 0.18232000 1.0 Ni Ni17 1 0.50000000 0.12072700 0.48145000 1.0 Ni Ni18 1 0.50000000 0.36068900 0.87927200 1.0 Ni Ni19 1 0.50000000 0.51852400 0.63910000 1.0 Ni Ni20 1 0.50000000 0.63927700 0.51855000 1.0 Ni Ni21 1 0.50000000 0.48141600 0.12072800 1.0 Ni Ni22 1 0.50000000 0.87942400 0.36090000 1.0 Ni Ni23 1 0.00000000 0.99998500 0.00000000 1.0 As As24 1 0.00000000 0.00004400 0.82110500 1.0 As As25 1 0.00000000 0.82103900 0.00000000 1.0 As As26 1 0.00000000 0.17893900 0.17889500 1.0 As As27 1 0.50000000 0.30704400 0.47855400 1.0 As As28 1 0.50000000 0.17144800 0.69307000 1.0 As As29 1 0.50000000 0.52148800 0.82845800 1.0 As As30 1 0.50000000 0.82849000 0.52144600 1.0 As As31 1 0.50000000 0.47837800 0.30693000 1.0 As As32 1 0.50000000 0.69303000 0.17154200 1.0 As As33 1 0.00000000 0.99985200 0.35558400 1.0 As As34 1 0.00000000 0.35561700 0.00000000 1.0 As As35 1 0.00000000 0.64426800 0.64441600 1.0