data_[Te2Se2Br4]
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 [Cm]
_cell_length_a [7.3203]
_cell_length_b [12.1323]
_cell_length_c [4.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeSeBr2]
_chemical_formula_sum '[Te2 Se2 Br4]'
_cell_volume [340.0121]
_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  0.0929  0.0000  0.2022  1
  Se  Se1  2  0.3119  0.5000  0.6763  1
  Br  Br2  4  0.2963  0.1581  0.0592  1
]