data_[Ce2Pr10Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4026]
_cell_length_b [5.8430]
_cell_length_c [7.1346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(PrHg)5]
_chemical_formula_sum '[Ce2 Pr10 Hg10]'
_cell_volume [686.6766]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.1285  0.5000  0.7024  1
  Pr  Pr2  4  0.1878  0.5000  0.2417  1
  Pr  Pr3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.1593  0.0000  0.3939  1
  Hg  Hg5  4  0.1785  0.0000  0.9642  1
  Hg  Hg6  2  0.0000  0.5000  0.0000  1
]