data_[V4Ni1Ir5]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.7391]
_cell_length_b [2.7391]
_cell_length_c [18.4368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [V4NiIr5]
_chemical_formula_sum '[V4 Ni1 Ir5]'
_cell_volume [138.3298]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.1974  1.0
  V  V1  2  0.0000  0.0000  0.3992  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  2  0.5000  0.5000  0.0986  1.0
  Ir  Ir4  2  0.5000  0.5000  0.2984  1.0
  Ir  Ir5  1  0.5000  0.5000  0.5000  1.0
]