data_[Na4Ga2Ir4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2192]
_cell_length_b [10.9455]
_cell_length_c [6.8757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ga(IrS3)2]
_chemical_formula_sum '[Na4 Ga2 Ir4 S12]'
_cell_volume [446.2921]
_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  0.0000  0.1627  0.0000  1.0
  Ga  Ga1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  4  0.0000  0.3335  0.5000  1.0
  S  S3  8  0.2357  0.1765  0.6899  1.0
  S  S4  4  0.2141  0.5000  0.6878  1.0
]