data_[La2Zr2Ta2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.5507]
_cell_length_b [4.5507]
_cell_length_c [10.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LaZrTaIr2]
_chemical_formula_sum '[La2 Zr2 Ta2 Ir4]'
_cell_volume [223.4718]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  2  0.0000  0.5000  0.7500  1.0
  Ta  Ta2  2  0.0000  0.5000  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0000  0.3761  1.0
]