data_[Pr24Cd10Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0354]
_cell_length_b [10.8687]
_cell_length_c [8.6466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr12Cd5Hg2]
_chemical_formula_sum '[Pr24 Cd10 Hg4]'
_cell_volume [1182.1015]
_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  8  0.1065  0.2735  0.3961  1.0
  Pr  Pr1  8  0.1710  0.1779  0.8199  1.0
  Pr  Pr2  4  0.1033  0.5000  0.7227  1.0
  Pr  Pr3  4  0.1104  0.0000  0.1577  1.0
  Cd  Cd4  4  0.1184  0.5000  0.1157  1.0
  Cd  Cd5  4  0.2309  0.0000  0.5321  1.0
  Cd  Cd6  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg7  4  0.0000  0.2678  0.0000  1.0
]