data_[Na8Ga4As8]
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/m]
_cell_length_a [12.9222]
_cell_length_b [4.2890]
_cell_length_c [10.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2GaAs2]
_chemical_formula_sum '[Na8 Ga4 As8]'
_cell_volume [481.2449]
_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  4  0.0218  0.5000  0.6755  1.0
  Na  Na1  4  0.1556  0.5000  0.0862  1.0
  Ga  Ga2  4  0.2008  0.0000  0.3595  1.0
  As  As3  4  0.0121  0.0000  0.8832  1.0
  As  As4  4  0.1696  0.0000  0.5919  1.0
]