data_[Na2V6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2095]
_cell_length_b [7.2128]
_cell_length_c [19.8435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.2491]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na(VAs)3]
_chemical_formula_sum '[Na2 V6 As6]'
_cell_volume [739.6562]
_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  1  0.4068  0.0420  0.3611  1
  Na  Na1  1  0.9364  0.5632  0.3668  1
  V  V2  1  0.1344  0.8563  0.5105  1
  V  V3  1  0.1742  0.1828  0.4902  1
  V  V4  1  0.1852  0.5064  0.5196  1
  V  V5  1  0.6273  0.6939  0.4892  1
  V  V6  1  0.6341  0.0201  0.5222  1
  V  V7  1  0.6775  0.3649  0.5065  1
  As  As8  1  0.4027  0.4374  0.4086  1
  As  As9  1  0.4045  0.7514  0.6052  1
  As  As10  1  0.4108  0.2553  0.6049  1
  As  As11  1  0.8617  0.6569  0.5990  1
  As  As12  1  0.8770  0.9572  0.4134  1
  As  As13  1  0.9298  0.2115  0.6030  1
]