data_[V8B8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.2126]
_cell_length_b [9.2934]
_cell_length_c [3.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [V2B2Ir]
_chemical_formula_sum '[V8 B8 Ir4]'
_cell_volume [205.9433]
_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  4  0.0742  0.6392  0.0000  1.0
  V  V1  4  0.1872  0.8670  0.5000  1.0
  B  B2  4  0.1136  0.4600  0.5000  1.0
  B  B3  4  0.1223  0.2686  0.5000  1.0
  Ir  Ir4  4  0.1267  0.1043  0.0000  1.0
]