data_[Tm2Bi6Te12]
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 [13.0634]
_cell_length_b [4.3691]
_cell_length_c [13.1768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(BiTe2)3]
_chemical_formula_sum '[Tm2 Bi6 Te12]'
_cell_volume [708.7143]
_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  0.3090  0.2500  0.9602  1.0
  Bi  Bi1  2  0.0984  0.7500  0.1485  1.0
  Bi  Bi2  2  0.1607  0.2500  0.5620  1.0
  Bi  Bi3  2  0.4667  0.7500  0.7022  1.0
  Te  Te4  2  0.0740  0.7500  0.3967  1.0
  Te  Te5  2  0.1127  0.7500  0.9258  1.0
  Te  Te6  2  0.2656  0.2500  0.1886  1.0
  Te  Te7  2  0.2659  0.7500  0.7665  1.0
  Te  Te8  2  0.3821  0.2500  0.5300  1.0
  Te  Te9  2  0.4683  0.7500  0.0964  1.0
]