data_[Pr4Pd5Au2]
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 [7.4639]
_cell_length_b [4.0121]
_cell_length_c [8.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Pd5Au2]
_chemical_formula_sum '[Pr4 Pd5 Au2]'
_cell_volume [256.1064]
_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  0.2447  0.5000  0.8823  1.0
  Pr  Pr1  2  0.2559  0.5000  0.3798  1.0
  Pd  Pd2  2  0.1459  0.0000  0.1210  1.0
  Pd  Pd3  2  0.4671  0.0000  0.6687  1.0
  Pd  Pd4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0963  0.0000  0.6384  1.0
]