data_[Sr2S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [8.1223]
_cell_length_b [4.1799]
_cell_length_c [8.1926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrS2Br]
_chemical_formula_sum '[Sr2 S4 Br2]'
_cell_volume [262.6699]
_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  0.2300  0.2500  0.9410  1
  S  S1  2  0.0852  0.2500  0.2429  1
  S  S2  2  0.1746  0.7500  0.2190  1
  Br  Br3  2  0.4012  0.7500  0.7800  1
]