data_[V4Tc4Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.1616]
_cell_length_b [10.0699]
_cell_length_c [4.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [VTcIr4]
_chemical_formula_sum '[V4 Tc4 Ir16]'
_cell_volume [349.6068]
_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  0.0000  0.3355  0.7500  1
  Tc  Tc1  4  0.0000  0.0715  0.7500  1
  Ir  Ir2  8  0.1671  0.4290  0.2500  1
  Ir  Ir3  8  0.1680  0.1704  0.2500  1
]