data_[Cs1La1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9602]
_cell_length_b [7.4455]
_cell_length_c [9.9634]
_cell_angle_alpha [83.6684]
_cell_angle_beta [85.3356]
_cell_angle_gamma [87.0473]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLa(SnBr4)2]
_chemical_formula_sum '[Cs1 La1 Sn2 Br8]'
_cell_volume [511.0083]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4822  0.4850  0.7482  1.0
  Br  Br3  2  0.2391  0.3305  0.9684  1.0
  Br  Br4  2  0.2503  0.8374  0.7895  1.0
  Br  Br5  2  0.2602  0.8504  0.2085  1.0
  Br  Br6  2  0.2620  0.3939  0.5572  1.0
]