data_[Tm12Bi12H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7011]
_cell_length_b [11.9969]
_cell_length_c [16.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Bi3H2]
_chemical_formula_sum '[Tm12 Bi12 H8]'
_cell_volume [730.5675]
_cell_formula_units_Z [4]
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  8  0.0000  0.3478  0.5518  1.0
  Tm  Tm1  4  0.0000  0.3574  0.2500  1.0
  Bi  Bi2  8  0.0000  0.0613  0.6036  1.0
  Bi  Bi3  4  0.0000  0.3637  0.7500  1.0
  H  H4  8  0.0000  0.2374  0.0504  1.0
]