data_[La8S2Br10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7700]
_cell_length_b [4.1452]
_cell_length_c [8.7078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4SBr5]
_chemical_formula_sum '[La8 S2 Br10]'
_cell_volume [657.3183]
_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  4  0.0015  0.0000  0.7803  1
  La  La1  4  0.1510  0.5000  0.0802  1
  S  S2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1649  0.0000  0.3419  1
  Br  Br4  4  0.1724  0.0000  0.8276  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]