data_[Na2Sb1Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  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 [6.7802]
_cell_length_b [8.9681]
_cell_length_c [7.0040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2SbPbBr8]
_chemical_formula_sum '[Na2 Sb1 Pb1 Br8]'
_cell_volume [424.4127]
_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  2  0.5000  0.2449  0.5000  1.0
  Sb  Sb1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2160  0.2283  0.8435  1.0
  Br  Br4  2  0.2603  0.0000  0.3247  1.0
  Br  Br5  2  0.2883  0.5000  0.3330  1.0
]