data_[Pr16Co2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8707]
_cell_length_b [4.7284]
_cell_length_c [7.5651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8CoAu2]
_chemical_formula_sum '[Pr16 Co2 Au4]'
_cell_volume [674.6653]
_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  0.0094  0.0000  0.7789  1.0
  Pr  Pr1  4  0.0943  0.5000  0.4850  1.0
  Pr  Pr2  4  0.1402  0.5000  0.9992  1.0
  Pr  Pr3  4  0.2212  0.0000  0.3240  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1771  0.0000  0.7334  1.0
]