data_[Tm12Bi4Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5104]
_cell_length_b [7.8353]
_cell_length_c [11.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Bi2Se]
_chemical_formula_sum '[Tm12 Bi4 Se2]'
_cell_volume [514.2127]
_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  0.0936  0.1998  0.4556  1.0
  Tm  Tm1  4  0.3135  0.6681  0.4542  1.0
  Tm  Tm2  4  0.3727  0.0246  0.2322  1.0
  Bi  Bi3  4  0.1525  0.1186  0.7401  1.0
  Se  Se4  2  0.5000  0.0000  0.5000  1.0
]