data_[La12Zn2S4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  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 [7.1738]
_cell_length_b [12.3885]
_cell_length_c [8.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6ZnS2Br3]
_chemical_formula_sum '[La12 Zn2 S4 Br6]'
_cell_volume [687.9260]
_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  0.2461  0.1744  0.2140  1.0
  La  La1  4  0.2220  0.5000  0.2122  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.3326  0.0000  1.0
  Br  Br4  4  0.0000  0.1609  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]