data_[Pr4Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8927]
_cell_length_b [4.7265]
_cell_length_c [7.2811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAgAu]
_chemical_formula_sum '[Pr4 Ag4 Au4]'
_cell_volume [286.9089]
_cell_formula_units_Z [4]
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  0.0380  0.5000  0.2897  1.0
  Ag  Ag1  4  0.1620  0.0000  0.1115  1.0
  Au  Au2  4  0.1656  0.0000  0.6932  1.0
]