data_[Tm10Tl4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.1748]
_cell_length_b [12.3125]
_cell_length_c [4.7312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tm5Tl2Ir]
_chemical_formula_sum '[Tm10 Tl4 Ir2]'
_cell_volume [417.9548]
_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  4  0.1333  0.7917  0.0000  1
  Tm  Tm1  4  0.1769  0.0792  0.5000  1
  Tm  Tm2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  4  0.0877  0.3350  0.5000  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]