data_[Te2Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0082]
_cell_length_b [6.6348]
_cell_length_c [6.9489]
_cell_angle_alpha [66.8365]
_cell_angle_beta [88.3767]
_cell_angle_gamma [85.2429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeBrCl]
_chemical_formula_sum '[Te2 Br2 Cl2]'
_cell_volume [253.7955]
_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  2  0.1268  0.3113  0.9840  1
  Br  Br1  2  0.1566  0.0617  0.7504  1
  Cl  Cl2  2  0.3594  0.5583  0.7279  1
]