data_[Pa8Ga12Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6683]
_cell_length_b [15.8003]
_cell_length_c [7.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pa2Ga3Ir4]
_chemical_formula_sum '[Pa8 Ga12 Ir16]'
_cell_volume [637.7120]
_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  8  0.0000  0.1046  0.4064  1
  Ga  Ga1  8  0.2500  0.2325  0.7500  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.1681  0.0367  1
  Ir  Ir4  8  0.2500  0.0699  0.7500  1
]