data_[Tm6Bi2Ir2]
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 [P2_1/m]
_cell_length_a [7.9337]
_cell_length_b [4.3761]
_cell_length_c [8.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3BiIr]
_chemical_formula_sum '[Tm6 Bi2 Ir2]'
_cell_volume [271.0260]
_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  2  0.0445  0.7500  0.2520  1.0
  Tm  Tm1  2  0.3129  0.2500  0.5959  1.0
  Tm  Tm2  2  0.3262  0.7500  0.9276  1.0
  Bi  Bi3  2  0.3349  0.2500  0.2094  1.0
  Ir  Ir4  2  0.0823  0.7500  0.6080  1.0
]