data_[V6Au2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [3.9736]
_cell_length_b [4.0425]
_cell_length_c [7.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [V3AuN]
_chemical_formula_sum '[V6 Au2 N2]'
_cell_volume [125.9569]
_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  2  0.2500  0.0000  0.3858  1.0
  V  V1  2  0.2500  0.0000  0.8886  1.0
  V  V2  2  0.2500  0.5000  0.6263  1.0
  Au  Au3  2  0.2500  0.5000  0.1311  1.0
  N  N4  2  0.2500  0.0000  0.6373  1.0
]