data_[Pr12Cu2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5614]
_cell_length_b [7.9144]
_cell_length_c [12.2244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6CuAu2]
_chemical_formula_sum '[Pr12 Cu2 Au4]'
_cell_volume [548.4043]
_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  0.0908  0.2076  0.4356  1.0
  Pr  Pr1  4  0.2864  0.6630  0.4443  1.0
  Pr  Pr2  4  0.3926  0.0463  0.2405  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.1498  0.1086  0.7285  1.0
]