data_[Pr12Sm8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.0103]
_cell_length_b [19.1219]
_cell_length_c [8.2440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr3(SmHg2)2]
_chemical_formula_sum '[Pr12 Sm8 Hg16]'
_cell_volume [1105.1175]
_cell_formula_units_Z [4]
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  0.2500  0.2399  0.7500  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Sm  Sm2  8  0.0000  0.0937  0.4154  1
  Hg  Hg3  8  0.0000  0.1606  0.0356  1
  Hg  Hg4  8  0.2500  0.0717  0.7500  1
]