data_[Te8Se4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1975]
_cell_length_b [5.5083]
_cell_length_c [9.3065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2SeBr]
_chemical_formula_sum '[Te8 Se4 Br4]'
_cell_volume [568.8596]
_cell_formula_units_Z [4]
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  0.0599  0.0000  0.3727  1
  Te  Te1  4  0.1929  0.5000  0.8540  1
  Se  Se2  4  0.1519  0.0000  0.9053  1
  Br  Br3  4  0.1117  0.5000  0.3824  1
]