data_[Zr6V4Ni8]
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 [P-1]
_cell_length_a [4.9360]
_cell_length_b [5.0103]
_cell_length_c [12.4030]
_cell_angle_alpha [89.3776]
_cell_angle_beta [88.9408]
_cell_angle_gamma [61.4065]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr3(VNi2)2]
_chemical_formula_sum '[Zr6 V4 Ni8]'
_cell_volume [269.2789]
_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
[
  Zr  Zr0  2  0.0139  0.9969  0.8734  1.0
  Zr  Zr1  2  0.3285  0.3264  0.5423  1.0
  Zr  Zr2  2  0.3516  0.3410  0.7881  1.0
  V  V3  2  0.1638  0.1670  0.3339  1.0
  V  V4  1  0.0000  0.5000  0.0000  1.0
  V  V5  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni6  2  0.1659  0.6648  0.3347  1.0
  Ni  Ni7  2  0.3261  0.3271  0.1686  1.0
  Ni  Ni8  2  0.3342  0.8342  0.6634  1.0
  Ni  Ni9  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni10  1  0.5000  0.0000  0.0000  1.0
]