data_[Sr2Sb2S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5415]
_cell_length_b [5.2576]
_cell_length_c [9.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrSbS2Br]
_chemical_formula_sum '[Sr2 Sb2 S4 Br2]'
_cell_volume [338.0997]
_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
[
  Sr  Sr0  2  0.2847  0.7500  0.0558  1.0
  Sb  Sb1  2  0.3330  0.7500  0.5673  1.0
  S  S2  2  0.4341  0.2500  0.5735  1.0
  S  S3  2  0.4807  0.2500  0.1555  1.0
  Br  Br4  2  0.0551  0.2500  0.8354  1.0
]