data_[Pr24Mg4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7692]
_cell_length_b [10.2736]
_cell_length_c [8.5361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr12Mg2Hg5]
_chemical_formula_sum '[Pr24 Mg4 Hg10]'
_cell_volume [1191.7983]
_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  0.1187  0.2920  0.3705  1
  Pr  Pr1  8  0.1477  0.1820  0.8115  1
  Pr  Pr2  4  0.0985  0.5000  0.6912  1
  Pr  Pr3  4  0.1058  0.0000  0.1580  1
  Mg  Mg4  4  0.0000  0.3390  0.0000  1
  Hg  Hg5  4  0.1740  0.5000  0.0618  1
  Hg  Hg6  4  0.2155  0.0000  0.5176  1
  Hg  Hg7  2  0.0000  0.0000  0.5000  1
]