data_[Na16Ga16As24]
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 [C2/c]
_cell_length_a [15.7008]
_cell_length_b [14.0654]
_cell_length_c [6.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Ga2As3]
_chemical_formula_sum '[Na16 Ga16 As24]'
_cell_volume [1344.8845]
_cell_formula_units_Z [8]
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  0.1032  0.0853  0.5891  1
  Na  Na1  4  0.0000  0.2842  0.2500  1
  Na  Na2  4  0.0000  0.4325  0.7500  1
  Ga  Ga3  8  0.1977  0.2788  0.1486  1
  Ga  Ga4  8  0.2324  0.4268  0.6923  1
  As  As5  8  0.1071  0.1262  0.1095  1
  As  As6  8  0.1396  0.2824  0.7350  1
  As  As7  8  0.1562  0.4292  0.2822  1
]