data_[V12Ge6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.4704]
_cell_length_b [2.7329]
_cell_length_c [10.8340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [V6Ge3Ir]
_chemical_formula_sum '[V12 Ge6 Ir2]'
_cell_volume [291.7765]
_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  0.0660  0.7500  0.6551  1
  V  V1  2  0.1551  0.2500  0.2806  1
  V  V2  2  0.2136  0.7500  0.0696  1
  V  V3  2  0.3846  0.7500  0.4776  1
  V  V4  2  0.3941  0.2500  0.7131  1
  V  V5  2  0.4328  0.2500  0.0565  1
  Ge  Ge6  2  0.0383  0.2500  0.8786  1
  Ge  Ge7  2  0.1789  0.2500  0.5130  1
  Ge  Ge8  2  0.2897  0.7500  0.8584  1
  Ir  Ir9  2  0.3910  0.2500  0.2760  1
]