data_[La12Os4S2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3438]
_cell_length_b [12.7045]
_cell_length_c [8.1535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Os2SBr3]
_chemical_formula_sum '[La12 Os4 S2 Br6]'
_cell_volume [726.3038]
_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  8  0.2405  0.1744  0.1978  1.0
  La  La1  4  0.2168  0.5000  0.1981  1.0
  Os  Os2  4  0.0000  0.3332  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1652  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]