data_[Na4Ga4Pb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.5337]
_cell_length_b [9.6830]
_cell_length_c [13.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaGaPbI4]
_chemical_formula_sum '[Na4 Ga4 Pb4 I16]'
_cell_volume [1260.0538]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.3620  1.0
  Ga  Ga1  4  0.2500  0.2500  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0000  0.0132  0.7622  1.0
  I  I4  8  0.2359  0.2500  0.9979  1.0
]