data_[Te6As2Pb12Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9600]
_cell_length_b [13.5072]
_cell_length_c [7.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te3As(Pb3Br)2]
_chemical_formula_sum '[Te6 As2 Pb12 Br4]'
_cell_volume [815.5981]
_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
[
  Te  Te0  4  0.0000  0.1700  0.5000  1.0
  Te  Te1  2  0.0000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.2312  0.1490  0.2399  1.0
  Pb  Pb4  4  0.2194  0.0000  0.7491  1.0
  Br  Br5  4  0.0000  0.3354  0.0000  1.0
]