data_[Tm12Bi2Sb6Te4]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5305]
_cell_length_b [13.0392]
_cell_length_c [7.5536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6BiSb3Te2]
_chemical_formula_sum '[Tm12 Bi2 Sb6 Te4]'
_cell_volume [699.9369]
_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  8  0.2473  0.3342  0.7394  1.0
  Tm  Tm1  4  0.2442  0.0000  0.7391  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.1676  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  4  0.0000  0.3337  0.0000  1.0
]