data_[Tm12Bi2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1528]
_cell_length_b [4.0655]
_cell_length_c [12.4080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6BiTe3]
_chemical_formula_sum '[Tm12 Bi2 Te6]'
_cell_volume [590.9321]
_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  0.0333  0.2500  0.8711  1.0
  Tm  Tm1  2  0.1248  0.7500  0.4542  1.0
  Tm  Tm2  2  0.2160  0.2500  0.2297  1.0
  Tm  Tm3  2  0.2534  0.2500  0.6986  1.0
  Tm  Tm4  2  0.4211  0.7500  0.1198  1.0
  Tm  Tm5  2  0.4861  0.7500  0.6474  1.0
  Bi  Bi6  2  0.0521  0.7500  0.6836  1.0
  Te  Te7  2  0.1657  0.7500  0.0333  1.0
  Te  Te8  2  0.3280  0.2500  0.4835  1.0
  Te  Te9  2  0.3893  0.7500  0.8617  1.0
]