data_[Na1In1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7515]
_cell_length_b [8.8345]
_cell_length_c [7.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaIn(PbBr4)2]
_chemical_formula_sum '[Na1 In1 Pb2 Br8]'
_cell_volume [425.0710]
_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
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2490  0.5000  1.0
  Br  Br3  4  0.2307  0.2276  0.1443  1.0
  Br  Br4  2  0.2250  0.0000  0.6785  1.0
  Br  Br5  2  0.2656  0.5000  0.6606  1.0
]