data_[Tm8Bi4H2]
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 [P2_1/m]
_cell_length_a [6.2380]
_cell_length_b [6.4036]
_cell_length_c [9.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm4Bi2H]
_chemical_formula_sum '[Tm8 Bi4 H2]'
_cell_volume [346.5175]
_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  0.4534  0.0015  0.6893  1.0
  Tm  Tm1  2  0.0715  0.7500  0.3333  1.0
  Tm  Tm2  2  0.1554  0.7500  0.9513  1.0
  Bi  Bi3  2  0.1259  0.2500  0.3894  1.0
  Bi  Bi4  2  0.3072  0.2500  0.9788  1.0
  H  H5  2  0.3076  0.7500  0.2026  1.0
]