data_[Na12Ga8Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1421]
_cell_length_b [7.9519]
_cell_length_c [7.5493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3(GaSe2)2]
_chemical_formula_sum '[Na12 Ga8 Se16]'
_cell_volume [969.0266]
_cell_formula_units_Z [4]
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  8  0.1174  0.0944  0.1421  1
  Na  Na1  4  0.0000  0.4896  0.7500  1
  Ga  Ga2  8  0.1880  0.3634  0.4831  1
  Se  Se3  8  0.0560  0.2368  0.4959  1
  Se  Se4  8  0.2378  0.4109  0.1749  1
]