data_[V4Co8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.6153]
_cell_length_b [3.8250]
_cell_length_c [16.9075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V2Co4Ir]
_chemical_formula_sum '[V4 Co8 Ir2]'
_cell_volume [169.1316]
_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  4  0.0000  0.0000  0.4141  1
  Co  Co1  4  0.0000  0.0000  0.1483  1
  Co  Co2  4  0.0000  0.5000  0.2306  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]