data_[Tm2Bi6Se12]
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/m]
_cell_length_a [12.1605]
_cell_length_b [4.1109]
_cell_length_c [12.2466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(BiSe2)3]
_chemical_formula_sum '[Tm2 Bi6 Se12]'
_cell_volume [584.4659]
_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  2  0.3138  0.2500  0.9637  1.0
  Bi  Bi1  2  0.0943  0.7500  0.1502  1.0
  Bi  Bi2  2  0.1633  0.2500  0.5707  1.0
  Bi  Bi3  2  0.4749  0.7500  0.7014  1.0
  Se  Se4  2  0.0862  0.7500  0.4079  1.0
  Se  Se5  2  0.1175  0.7500  0.9304  1.0
  Se  Se6  2  0.2569  0.2500  0.1886  1.0
  Se  Se7  2  0.2768  0.7500  0.7726  1.0
  Se  Se8  2  0.3837  0.2500  0.5349  1.0
  Se  Se9  2  0.4641  0.7500  0.0975  1.0
]