data_[Tm3Bi6H3]
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 [R3m]
_cell_length_a [3.5536]
_cell_length_b [3.5536]
_cell_length_c [28.3548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmBi2H]
_chemical_formula_sum '[Tm3 Bi6 H3]'
_cell_volume [310.0962]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1039  1.0
  Bi  Bi1  3  0.0000  0.0000  0.3412  1.0
  Bi  Bi2  3  0.0000  0.0000  0.5334  1.0
  H  H3  3  0.0000  0.0000  0.7710  1.0
]