data_[V2Fe8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1976]
_cell_length_b [2.9561]
_cell_length_c [5.7733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VFe4Ir]
_chemical_formula_sum '[V2 Fe8 Ir2]'
_cell_volume [148.9332]
_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  0.5000  1
  Fe  Fe1  4  0.1702  0.0000  0.3426  1
  Fe  Fe2  4  0.1726  0.0000  0.8287  1
  Ir  Ir3  2  0.0000  0.5000  0.0000  1
]