data_[Na8In4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4340]
_cell_length_b [14.0813]
_cell_length_c [10.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2InCl3]
_chemical_formula_sum '[Na8 In4 Cl12]'
_cell_volume [661.5437]
_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  0.0000  0.0000  1
  Na  Na1  4  0.0000  0.4870  0.7500  1
  In  In2  4  0.0000  0.2422  0.2500  1
  Cl  Cl3  8  0.0000  0.3725  0.5562  1
  Cl  Cl4  4  0.0000  0.0851  0.7500  1
]