data_[Pr12Pt2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8770]
_cell_length_b [7.6875]
_cell_length_c [12.3950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6PtAu2]
_chemical_formula_sum '[Pr12 Pt2 Au4]'
_cell_volume [567.6589]
_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  0.1014  0.1975  0.4332  1.0
  Pr  Pr1  4  0.2638  0.6710  0.4338  1.0
  Pr  Pr2  4  0.3921  0.0384  0.2403  1.0
  Pt  Pt3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.1664  0.1109  0.7292  1.0
]