data_[Pr4Pd2Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5059]
_cell_length_b [3.9313]
_cell_length_c [9.1370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Pd2Au5]
_chemical_formula_sum '[Pr4 Pd2 Au5]'
_cell_volume [269.3389]
_cell_formula_units_Z [1]
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  0.2108  0.5000  0.8612  1.0
  Pr  Pr1  2  0.2488  0.5000  0.4037  1.0
  Pd  Pd2  2  0.0696  0.0000  0.6380  1.0
  Au  Au3  2  0.1510  0.0000  0.1269  1.0
  Au  Au4  2  0.4398  0.0000  0.6588  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]