# generated using pymatgen data_Tm2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04082890 _cell_length_b 4.04082890 _cell_length_c 13.94876792 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2NiAs2 _chemical_formula_sum 'Tm4 Ni2 As4' _cell_volume 197.24562091 _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 Tm Tm0 1 0.33333300 0.66666700 0.87955832 1.0 Tm Tm1 1 0.66666700 0.33333300 0.37955832 1.0 Tm Tm2 1 0.66666700 0.33333300 0.11465807 1.0 Tm Tm3 1 0.33333300 0.66666700 0.61465807 1.0 Ni Ni4 1 0.00000000 -0.00000000 0.74413600 1.0 Ni Ni5 1 -0.00000000 0.00000000 0.24413600 1.0 As As6 1 -0.00000000 0.00000000 0.49728163 1.0 As As7 1 -0.00000000 0.00000000 -0.00271837 1.0 As As8 1 0.66666700 0.33333300 0.74803498 1.0 As As9 1 0.33333300 0.66666700 0.24803498 1.0