data_[Pr12Ho12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2230]
_cell_length_b [11.8632]
_cell_length_c [16.1211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Ho3Hg2]
_chemical_formula_sum '[Pr12 Ho12 Hg8]'
_cell_volume [998.8851]
_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  0.0000  0.0401  0.6080  1.0
  Pr  Pr1  4  0.0000  0.2867  0.7500  1.0
  Ho  Ho2  8  0.0000  0.3589  0.5344  1.0
  Ho  Ho3  4  0.0000  0.4276  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2337  0.1239  1.0
]