data_[V12Ni24Ir4]
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 [Cmc2_1]
_cell_length_a [8.1111]
_cell_length_b [14.0291]
_cell_length_c [4.3631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [V3Ni6Ir]
_chemical_formula_sum '[V12 Ni24 Ir4]'
_cell_volume [496.4860]
_cell_formula_units_Z [4]
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  8  0.1676  0.1025  0.5481  1
  V  V1  4  0.0000  0.3961  0.9128  1
  Ni  Ni2  8  0.1599  0.4551  0.4648  1
  Ni  Ni3  8  0.2494  0.2965  0.6530  1
  Ni  Ni4  4  0.0000  0.0451  0.0654  1
  Ni  Ni5  4  0.0000  0.3014  0.3532  1
  Ir  Ir6  4  0.0000  0.2131  0.8512  1
]