data_[Na2As6]
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_1/m]
_cell_length_a [6.0169]
_cell_length_b [5.9661]
_cell_length_c [6.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaAs3]
_chemical_formula_sum '[Na2 As6]'
_cell_volume [214.1291]
_cell_formula_units_Z [2]
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  2  0.2109  0.7500  0.5302  1.0
  As  As1  4  0.2077  0.0410  0.0197  1.0
  As  As2  2  0.2796  0.2500  0.3789  1.0
]