data_[Cs12La4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [14.9980]
_cell_length_b [8.9327]
_cell_length_c [14.1647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3LaBr6]
_chemical_formula_sum '[Cs12 La4 Br24]'
_cell_volume [1807.4827]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0909  0.5572  0.8541  1
  Cs  Cs1  4  0.3166  0.0686  0.7661  1
  Cs  Cs2  4  0.3197  0.5718  0.6167  1
  La  La3  2  0.0000  0.0000  0.0000  1
  La  La4  2  0.5000  0.0000  0.5000  1
  Br  Br5  4  0.0963  0.7247  0.1004  1
  Br  Br6  4  0.1232  0.5049  0.3748  1
  Br  Br7  4  0.1311  0.1800  0.1547  1
  Br  Br8  4  0.3472  0.7060  0.8944  1
  Br  Br9  4  0.3499  0.2080  0.5086  1
  Br  Br10  4  0.4999  0.6370  0.1911  1
]