data_[Na6In2Ag4I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0294]
_cell_length_b [4.5841]
_cell_length_c [9.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3In(AgI3)2]
_chemical_formula_sum '[Na6 In2 Ag4 I12]'
_cell_volume [830.3741]
_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  0.1632  0.0000  0.8272  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag3  4  0.1730  0.0000  0.3375  1.0
  I  I4  4  0.0040  0.0000  0.2707  1.0
  I  I5  4  0.1704  0.5000  0.5683  1.0
  I  I6  4  0.1742  0.5000  0.1039  1.0
]