data_[Tm16Tl2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2274]
_cell_length_b [5.1192]
_cell_length_c [6.8872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8TlBi2]
_chemical_formula_sum '[Tm16 Tl2 Bi4]'
_cell_volume [641.9942]
_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  0.0325  0.0000  0.7458  1.0
  Tm  Tm1  4  0.0915  0.5000  0.4392  1.0
  Tm  Tm2  4  0.1628  0.5000  0.9051  1.0
  Tm  Tm3  4  0.2142  0.0000  0.6188  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1613  0.0000  0.1732  1.0
]