data_[Na8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0056]
_cell_length_b [6.2984]
_cell_length_c [10.6036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NaAs]
_chemical_formula_sum '[Na8 As8]'
_cell_volume [401.0838]
_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  4  0.1130  0.6012  0.4221  1.0
  Na  Na1  4  0.1526  0.8413  0.7949  1.0
  As  As2  4  0.1151  0.0377  0.5403  1.0
  As  As3  4  0.1526  0.6683  0.1263  1.0
]