data_[V2Ni10Ir4]
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 [Pbam]
_cell_length_a [5.1744]
_cell_length_b [10.3703]
_cell_length_c [3.6010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [VNi5Ir2]
_chemical_formula_sum '[V2 Ni10 Ir4]'
_cell_volume [193.2300]
_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  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.0084  0.2531  0.0000  1
  Ni  Ni2  4  0.2433  0.8738  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.2444  0.6236  0.5000  1
]