data_[V4Ga4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0126]
_cell_length_b [4.1371]
_cell_length_c [5.1483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VGaIr]
_chemical_formula_sum '[V4 Ga4 Ir4]'
_cell_volume [169.3268]
_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  0.0002  0.0000  0.2525  1.0
  Ga  Ga1  4  0.1633  0.5000  0.1109  1.0
  Ir  Ir2  4  0.1711  0.5000  0.6204  1.0
]