data_[Pr6In12Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.6910]
_cell_length_b [13.9353]
_cell_length_c [10.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr3In6Au5]
_chemical_formula_sum '[Pr6 In12 Au10]'
_cell_volume [666.4850]
_cell_formula_units_Z [2]
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  0.0000  0.2969  0.7505  1
  Pr  Pr1  2  0.0000  0.0000  0.7476  1
  In  In2  4  0.0000  0.1537  0.0242  1
  In  In3  4  0.0000  0.3293  0.3989  1
  In  In4  2  0.0000  0.5000  0.5813  1
  In  In5  2  0.0000  0.5000  0.9471  1
  Au  Au6  4  0.0000  0.1278  0.4649  1
  Au  Au7  4  0.0000  0.3486  0.1314  1
  Au  Au8  2  0.0000  0.0000  0.2265  1
]