data_[Tm3Sn3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5423]
_cell_length_b [7.5423]
_cell_length_c [3.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [TmSnIr]
_chemical_formula_sum '[Tm3 Sn3 Ir3]'
_cell_volume [187.8647]
_cell_formula_units_Z [3]
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  3  0.0000  0.4021  0.5000  1.0
  Sn  Sn1  3  0.0000  0.7358  0.0000  1.0
  Ir  Ir2  2  0.3333  0.6667  0.0000  1.0
  Ir  Ir3  1  0.0000  0.0000  0.5000  1.0
]