data_[Na12I10Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8192]
_cell_length_b [13.5619]
_cell_length_c [7.8515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6I5Cl]
_chemical_formula_sum '[Na12 I10 Cl2]'
_cell_volume [785.0240]
_cell_formula_units_Z [2]
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  8  0.2349  0.1554  0.2378  1
  Na  Na1  4  0.2320  0.0000  0.7623  1
  I  I2  4  0.0000  0.1678  0.5000  1
  I  I3  4  0.0000  0.3330  0.0000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]