data_[Hf1Pa2Ge3Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9791]
_cell_length_b [3.9791]
_cell_length_c [16.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HfPa2(GeIr2)3]
_chemical_formula_sum '[Hf1 Pa2 Ge3 Ir6]'
_cell_volume [254.2153]
_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
[
  Hf  Hf0  1  0.5000  0.5000  0.5000  1
  Pa  Pa1  2  0.5000  0.5000  0.2147  1
  Ge  Ge2  2  0.0000  0.0000  0.2984  1
  Ge  Ge3  1  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.0000  0.5000  0.3829  1
  Ir  Ir5  2  0.0000  0.0000  0.1476  1
]