data_[Na12Ga8As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1198]
_cell_length_b [13.1226]
_cell_length_c [13.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Ga2As3]
_chemical_formula_sum '[Na12 Ga8 As12]'
_cell_volume [753.2284]
_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  0.0000  0.0490  0.6174  1
  Na  Na1  4  0.0000  0.3099  0.7500  1
  Ga  Ga2  8  0.0000  0.2468  0.0930  1
  As  As3  8  0.0000  0.3663  0.5532  1
  As  As4  4  0.0000  0.3499  0.2500  1
]