data_[Si2Te2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.8995]
_cell_length_b [22.2348]
_cell_length_c [8.4185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SiTeBr2]
_chemical_formula_sum '[Si2 Te2 Br4]'
_cell_volume [677.7545]
_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
[
  Si  Si0  2  0.4405  0.3784  0.5974  1
  Te  Te1  2  0.8027  0.3373  0.4253  1
  Br  Br2  2  0.4538  0.4782  0.6114  1
  Br  Br3  2  0.6537  0.3439  0.8658  1
]