data_[Zr8Ta4Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imma]
_cell_length_a [4.4084]
_cell_length_b [7.3847]
_cell_length_c [12.8067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Zr2TaIr3]
_chemical_formula_sum '[Zr8 Ta4 Ir12]'
_cell_volume [416.9203]
_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
[
  Zr  Zr0  4  0.0000  0.2500  0.5222  1
  Zr  Zr1  4  0.0000  0.2500  0.8211  1
  Ta  Ta2  4  0.0000  0.2500  0.1568  1
  Ir  Ir3  8  0.0000  0.0401  0.3320  1
  Ir  Ir4  4  0.0000  0.0000  0.0000  1
]