data_[Pr12In6Au2]
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 [Pnnm]
_cell_length_a [9.5355]
_cell_length_b [12.2511]
_cell_length_c [5.4123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Pr6In3Au]
_chemical_formula_sum '[Pr12 In6 Au2]'
_cell_volume [632.2629]
_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  0.0054  0.7566  0.0000  1.0
  Pr  Pr1  4  0.1627  0.9139  0.5000  1.0
  Pr  Pr2  4  0.1745  0.5853  0.5000  1.0
  In  In3  4  0.1626  0.2710  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]