data_[Pr6Pt2Au6]
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 [Imm2]
_cell_length_a [3.9318]
_cell_length_b [4.5747]
_cell_length_c [20.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pr3PtAu3]
_chemical_formula_sum '[Pr6 Pt2 Au6]'
_cell_volume [361.8443]
_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  2  0.0000  0.0000  0.0086  1
  Pr  Pr1  2  0.0000  0.5000  0.1793  1
  Pr  Pr2  2  0.0000  0.5000  0.8146  1
  Pt  Pt3  2  0.0000  0.0000  0.5674  1
  Au  Au4  2  0.0000  0.0000  0.4334  1
  Au  Au5  2  0.0000  0.5000  0.3431  1
  Au  Au6  2  0.0000  0.5000  0.6536  1
]