data_[Sb2Se2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8840]
_cell_length_b [4.0772]
_cell_length_c [7.1713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbSeBr]
_chemical_formula_sum '[Sb2 Se2 Br2]'
_cell_volume [201.2055]
_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
[
  Sb  Sb0  2  0.4944  0.7500  0.7714  1
  Se  Se1  2  0.2669  0.2500  0.9229  1
  Br  Br2  2  0.2371  0.7500  0.3894  1
]