data_[V6Ni2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7779]
_cell_length_b [7.3676]
_cell_length_c [18.0961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V3NiAs3]
_chemical_formula_sum '[V6 Ni2 As6]'
_cell_volume [770.3294]
_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
[
  V  V0  4  0.3203  0.2960  0.5374  1
  V  V1  2  0.0261  0.5000  0.5365  1
  Ni  Ni2  2  0.1626  0.0000  0.4580  1
  As  As3  4  0.0251  0.2984  0.4199  1
  As  As4  2  0.1246  0.0000  0.5909  1
]