data_[Tm8Bi4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.8286]
_cell_length_b [12.1920]
_cell_length_c [4.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tm4Bi2Ir]
_chemical_formula_sum '[Tm8 Bi4 Ir2]'
_cell_volume [414.2444]
_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  0.1287  0.6985  0.0000  1.0
  Tm  Tm1  4  0.2081  0.4421  0.5000  1.0
  Bi  Bi2  4  0.0787  0.1698  0.5000  1.0
  Ir  Ir3  2  0.0000  0.5000  0.0000  1.0
]