data_[Pr12Ga4Au4]
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 [16.2341]
_cell_length_b [4.0810]
_cell_length_c [8.7042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3GaAu]
_chemical_formula_sum '[Pr12 Ga4 Au4]'
_cell_volume [575.6160]
_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
[
  Pr  Pr0  4  0.0518  0.0000  0.1983  1.0
  Pr  Pr1  4  0.0967  0.5000  0.5761  1.0
  Pr  Pr2  4  0.2351  0.0000  0.8195  1.0
  Ga  Ga3  4  0.2120  0.0000  0.4285  1.0
  Au  Au4  4  0.0959  0.5000  0.9433  1.0
]