data_[Na6In4I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9010]
_cell_length_b [4.6774]
_cell_length_c [12.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3In2I5]
_chemical_formula_sum '[Na6 In4 I10]'
_cell_volume [779.7201]
_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  4  0.1136  0.0000  0.8738  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  In  In2  4  0.1697  0.5000  0.2684  1
  I  I3  4  0.0970  0.0000  0.4184  1
  I  I4  4  0.1966  0.5000  0.8030  1
  I  I5  2  0.0000  0.0000  0.0000  1
]