data_[Na1La1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2/m]
_cell_length_a [6.8718]
_cell_length_b [8.9233]
_cell_length_c [7.2208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaLa(SnBr4)2]
_chemical_formula_sum '[Na1 La1 Sn2 Br8]'
_cell_volume [442.6740]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2604  0.5000  1.0
  Br  Br3  4  0.2372  0.2480  0.1583  1.0
  Br  Br4  2  0.2491  0.0000  0.6697  1.0
  Br  Br5  2  0.2705  0.5000  0.6548  1.0
]