data_[Na6Cr2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.6619]
_cell_length_b [4.7723]
_cell_length_c [9.3072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3CrAs3]
_chemical_formula_sum '[Na6 Cr2 As6]'
_cell_volume [917.7308]
_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  4  0.3630  0.0000  0.3681  1
  Na  Na1  2  0.5000  0.0000  0.5397  1
  Cr  Cr2  2  0.5000  0.0000  0.2146  1
  As  As3  4  0.4068  0.0000  0.0324  1
  As  As4  2  0.5000  0.0000  0.8515  1
]