# generated using pymatgen data_TmSc(Ni2As)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09395393 _cell_length_b 7.09395393 _cell_length_c 3.72906453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.72516825 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmSc(Ni2As)4 _chemical_formula_sum 'Tm1 Sc1 Ni8 As4' _cell_volume 187.65996455 _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 Tm Tm0 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.58936442 0.15449307 0.50000000 1.0 Ni Ni3 1 0.41063558 0.84550693 0.50000000 1.0 Ni Ni4 1 0.08883313 0.34658326 0.00000000 1.0 Ni Ni5 1 0.91116687 0.65341674 0.00000000 1.0 Ni Ni6 1 0.15449307 0.58936442 0.50000000 1.0 Ni Ni7 1 0.84550693 0.41063558 0.50000000 1.0 Ni Ni8 1 0.34658326 0.08883313 0.00000000 1.0 Ni Ni9 1 0.65341674 0.91116687 0.00000000 1.0 As As10 1 0.72282340 0.72282340 0.50000000 1.0 As As11 1 0.27717660 0.27717660 0.50000000 1.0 As As12 1 0.21295746 0.78704254 0.00000000 1.0 As As13 1 0.78704254 0.21295746 0.00000000 1.0