data_[Pa8Ge8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [10.4835]
_cell_length_b [4.2499]
_cell_length_c [10.4883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Ge2Ir]
_chemical_formula_sum '[Pa8 Ge8 Ir4]'
_cell_volume [415.8213]
_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
[
  Pa  Pa0  4  0.0045  0.0000  0.3260  1
  Pa  Pa1  4  0.1847  0.0000  0.1163  1
  Ge  Ge2  4  0.0388  0.5000  0.8886  1
  Ge  Ge3  4  0.1438  0.5000  0.5525  1
  Ir  Ir4  4  0.2192  0.5000  0.3258  1
]