data_[Tm12Bi6Te2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6782]
_cell_length_b [4.2573]
_cell_length_c [8.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Bi3TeAs2]
_chemical_formula_sum '[Tm12 Bi6 Te2 As4]'
_cell_volume [667.3479]
_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  0.0103  0.0000  0.2579  1.0
  Tm  Tm1  4  0.1718  0.5000  0.1049  1.0
  Tm  Tm2  4  0.1732  0.5000  0.5697  1.0
  Bi  Bi3  4  0.1612  0.0000  0.8322  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  As  As6  4  0.1684  0.0000  0.3345  1.0
]