data_[Pr6Ga12Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1809]
_cell_length_b [4.3111]
_cell_length_c [10.5069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrGa2Au3]
_chemical_formula_sum '[Pr6 Ga12 Au18]'
_cell_volume [741.8913]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  4  0.1527  0.0000  0.6931  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0282  0.5000  0.7717  1
  Ga  Ga3  4  0.1414  0.5000  0.4505  1
  Ga  Ga4  4  0.2032  0.0000  0.1178  1
  Au  Au5  4  0.0448  0.0000  0.3408  1
  Au  Au6  4  0.1201  0.5000  0.1849  1
  Au  Au7  4  0.1656  0.5000  0.9496  1
  Au  Au8  4  0.2200  0.0000  0.3749  1
  Au  Au9  2  0.0000  0.5000  0.5000  1
]