data_[Na4In2Ga6I12]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5748]
_cell_length_b [4.7294]
_cell_length_c [9.5123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In(GaI2)3]
_chemical_formula_sum '[Na4 In2 Ga6 I12]'
_cell_volume [902.2393]
_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  0.1687  0.0000  0.3377  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  4  0.1676  0.0000  0.8310  1.0
  Ga  Ga3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0060  0.0000  0.2646  1.0
  I  I5  4  0.1687  0.5000  0.5832  1.0
  I  I6  4  0.1730  0.5000  0.0945  1.0
]