# generated using pymatgen data_Tm2Zn(BIr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49904109 _cell_length_b 5.49904086 _cell_length_c 13.01489893 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000728 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Zn(BIr2)3 _chemical_formula_sum 'Tm4 Zn2 B6 Ir12' _cell_volume 340.83588321 _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 0.00000000 0.00000000 0.00000000 1.0 Tm Tm1 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm2 1 0.00000000 0.00000000 0.74300779 1.0 Tm Tm3 1 0.00000000 0.00000000 0.25699221 1.0 Zn Zn4 1 0.66666700 0.33333300 0.00000000 1.0 Zn Zn5 1 0.33333300 0.66666700 0.00000000 1.0 B B6 1 0.66666700 0.33333300 0.50000000 1.0 B B7 1 0.33333300 0.66666700 0.50000000 1.0 B B8 1 0.66666700 0.33333300 0.73437485 1.0 B B9 1 0.33333300 0.66666700 0.73437485 1.0 B B10 1 0.33333300 0.66666700 0.26562515 1.0 B B11 1 0.66666700 0.33333300 0.26562515 1.0 Ir Ir12 1 0.50000000 0.50000000 0.84071559 1.0 Ir Ir13 1 0.50000000 0.00000000 0.84071559 1.0 Ir Ir14 1 0.00000000 0.50000000 0.84071559 1.0 Ir Ir15 1 0.50000000 0.50000000 0.15928441 1.0 Ir Ir16 1 0.50000000 0.00000000 0.15928441 1.0 Ir Ir17 1 0.00000000 0.50000000 0.15928441 1.0 Ir Ir18 1 0.50000000 0.50000000 0.61368523 1.0 Ir Ir19 1 0.50000000 0.00000000 0.61368523 1.0 Ir Ir20 1 0.00000000 0.50000000 0.61368523 1.0 Ir Ir21 1 0.50000000 0.50000000 0.38631477 1.0 Ir Ir22 1 0.50000000 0.00000000 0.38631477 1.0 Ir Ir23 1 0.00000000 0.50000000 0.38631477 1.0