# generated using pymatgen data_Tm16Mg(ZrIr4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62297780 _cell_length_b 10.62297780 _cell_length_c 6.15951375 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm16Mg(ZrIr4)3 _chemical_formula_sum 'Tm16 Mg1 Zr3 Ir12' _cell_volume 695.08669799 _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 0.28250760 0.08128391 0.37499804 1.0 Tm Tm1 1 0.28993304 0.91145980 0.87595945 1.0 Tm Tm2 1 0.71006696 0.08854020 0.87595945 1.0 Tm Tm3 1 0.71749240 0.91871609 0.37499804 1.0 Tm Tm4 1 0.58849434 0.79063001 0.87500115 1.0 Tm Tm5 1 0.58434233 0.20931097 0.37200163 1.0 Tm Tm6 1 0.41565767 0.79068903 0.37200163 1.0 Tm Tm7 1 0.41150566 0.20936999 0.87500115 1.0 Tm Tm8 1 0.20931097 0.41565767 0.62799837 1.0 Tm Tm9 1 0.20936999 0.58849434 0.12499885 1.0 Tm Tm10 1 0.79063001 0.41150566 0.12499885 1.0 Tm Tm11 1 0.79068903 0.58434233 0.62799837 1.0 Tm Tm12 1 0.91145980 0.71006696 0.12404055 1.0 Tm Tm13 1 0.91871609 0.28250760 0.62500196 1.0 Tm Tm14 1 0.08128391 0.71749240 0.62500196 1.0 Tm Tm15 1 0.08854020 0.28993304 0.12404055 1.0 Mg Mg16 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr17 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85185776 0.15369321 0.23929333 1.0 Ir Ir21 1 0.84630679 0.85185776 0.76070667 1.0 Ir Ir22 1 0.15369321 0.14814224 0.76070667 1.0 Ir Ir23 1 0.14814224 0.84630679 0.23929333 1.0 Ir Ir24 1 0.64657300 0.35322583 0.74660492 1.0 Ir Ir25 1 0.64677417 0.64657300 0.25339508 1.0 Ir Ir26 1 0.35322583 0.35342700 0.25339508 1.0 Ir Ir27 1 0.35342700 0.64677417 0.74660492 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12392677 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61983759 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87607323 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38016241 1.0