data_[Pr10Pd4Au10]
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 [C2/m]
_cell_length_a [16.7697]
_cell_length_b [4.1922]
_cell_length_c [11.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Pd2Au5]
_chemical_formula_sum '[Pr10 Pd4 Au10]'
_cell_volume [608.2576]
_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  0.1013  0.5000  0.9059  1
  Pr  Pr1  4  0.1971  0.5000  0.3158  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  4  0.1312  0.0000  0.7530  1
  Au  Au4  4  0.0783  0.0000  0.3592  1
  Au  Au5  4  0.2338  0.0000  0.1660  1
  Au  Au6  2  0.0000  0.0000  0.0000  1
]