# generated using pymatgen data_Tb2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13067433 _cell_length_b 4.13067433 _cell_length_c 14.22549900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2NiAs2 _chemical_formula_sum 'Tb4 Ni2 As4' _cell_volume 210.20354189 _cell_formula_units_Z 2 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 0.66666700 0.33333300 0.61809600 1.0 Tb Tb1 1 0.33333300 0.66666700 0.11809600 1.0 Tb Tb2 1 0.66666700 0.33333300 0.35241800 1.0 Tb Tb3 1 0.33333300 0.66666700 0.85241800 1.0 Ni Ni4 1 0.00000000 0.00000000 0.99777100 1.0 Ni Ni5 1 0.00000000 0.00000000 0.49777100 1.0 As As6 1 0.66666700 0.33333300 0.98282700 1.0 As As7 1 0.33333300 0.66666700 0.48282700 1.0 As As8 1 0.00000000 0.00000000 0.73321900 1.0 As As9 1 0.00000000 0.00000000 0.23321900 1.0