data_[V1Zn1Ni1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.7736]
_cell_length_b [2.7736]
_cell_length_c [6.8746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [VZnNiIr]
_chemical_formula_sum '[V1 Zn1 Ni1 Ir1]'
_cell_volume [52.8866]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5658  1
  Zn  Zn1  1  0.0000  0.0000  0.0847  1
  Ni  Ni2  1  0.5000  0.5000  0.3224  1
  Ir  Ir3  1  0.5000  0.5000  0.8117  1
]