data_[U8Ga20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2733]
_cell_length_b [24.6127]
_cell_length_c [6.7720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [U2Ga5Ir3]
_chemical_formula_sum '[U8 Ga20 Ir12]'
_cell_volume [712.2674]
_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
[
  U  U0  4  0.0000  0.1748  0.2091  1
  U  U1  4  0.0000  0.4809  0.2757  1
  Ga  Ga2  4  0.0000  0.0536  0.1045  1
  Ga  Ga3  4  0.0000  0.1260  0.7579  1
  Ga  Ga4  4  0.0000  0.2920  0.9986  1
  Ga  Ga5  4  0.0000  0.2946  0.3940  1
  Ga  Ga6  4  0.0000  0.3968  0.9152  1
  Ir  Ir7  4  0.0000  0.0474  0.4960  1
  Ir  Ir8  4  0.0000  0.2300  0.6934  1
  Ir  Ir9  4  0.0000  0.3932  0.5204  1
]