data_[Na9In9Ga3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8350]
_cell_length_b [7.8350]
_cell_length_c [21.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3In3GaSe8]
_chemical_formula_sum '[Na9 In9 Ga3 Se24]'
_cell_volume [1163.4352]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  In  In1  9  0.0000  0.5000  0.0000  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.0000  1.0
  Se  Se3  18  0.0142  0.5071  0.7372  1.0
  Se  Se4  6  0.0000  0.0000  0.2592  1.0
]