data_[Pr18Ag12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1723]
_cell_length_b [5.2188]
_cell_length_c [10.4673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ag2]
_chemical_formula_sum '[Pr18 Ag12]'
_cell_volume [882.3914]
_cell_formula_units_Z [6]
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  0.0104  0.5000  0.3292  1.0
  Pr  Pr1  4  0.1085  0.0000  0.5602  1.0
  Pr  Pr2  4  0.1525  0.0000  0.9369  1.0
  Pr  Pr3  4  0.2472  0.5000  0.7305  1.0
  Pr  Pr4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.0503  0.0000  0.1878  1.0
  Ag  Ag6  4  0.1670  0.5000  0.1491  1.0
  Ag  Ag7  4  0.1977  0.5000  0.4424  1.0
]