data_[La4S2Br4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.1629]
_cell_length_b [11.4516]
_cell_length_c [7.3634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La2SBr2O]
_chemical_formula_sum '[La4 S2 Br4 O2]'
_cell_volume [351.0277]
_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
[
  La  La0  2  0.0000  0.2784  0.2473  1
  La  La1  2  0.5000  0.4321  0.8368  1
  S  S2  2  0.0000  0.4460  0.5355  1
  Br  Br3  2  0.0000  0.2247  0.8522  1
  Br  Br4  2  0.5000  0.1143  0.3955  1
  O  O5  2  0.5000  0.3764  0.1783  1
]