data_[Cs1Na1La2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3660]
_cell_length_b [9.3371]
_cell_length_c [7.5274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNaLa2Br8]
_chemical_formula_sum '[Cs1 Na1 La2 Br8]'
_cell_volume [515.3905]
_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  0.5000  0.0000  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  La  La2  2  0.5000  0.2421  0.5000  1.0
  Br  Br3  4  0.2595  0.2144  0.1757  1.0
  Br  Br4  2  0.2862  0.0000  0.6428  1.0
  Br  Br5  2  0.2903  0.5000  0.6207  1.0
]