data_[Zr8V8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4258]
_cell_length_b [5.0976]
_cell_length_c [8.7072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrVNi]
_chemical_formula_sum '[Zr8 V8 Ni8]'
_cell_volume [373.9857]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  4  0.1947  0.0000  0.6602  1.0
  Zr  Zr1  4  0.3182  0.0000  0.3255  1.0
  V  V2  4  0.0000  0.2458  0.4111  1.0
  V  V3  2  0.0000  0.0000  0.1713  1.0
  V  V4  2  0.5000  0.0000  0.8504  1.0
  Ni  Ni5  4  0.2541  0.0000  0.9965  1.0
  Ni  Ni6  4  0.5000  0.2460  0.5957  1.0
]