data_[Pr16Cu2Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5881]
_cell_length_b [5.3352]
_cell_length_c [7.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8CuAg2]
_chemical_formula_sum '[Pr16 Cu2 Ag4]'
_cell_volume [667.6337]
_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  0.0230  0.0000  0.7857  1.0
  Pr  Pr1  4  0.0902  0.5000  0.4562  1.0
  Pr  Pr2  4  0.1640  0.5000  0.9899  1.0
  Pr  Pr3  4  0.2010  0.0000  0.3244  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1771  0.0000  0.7305  1.0
]