data_[Pr2Ho2Hg8]
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 [C2/m]
_cell_length_a [10.6127]
_cell_length_b [3.9064]
_cell_length_c [8.0963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHoHg4]
_chemical_formula_sum '[Pr2 Ho2 Hg8]'
_cell_volume [312.8940]
_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  2  0.0000  0.0000  0.5000  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1667  0.5000  0.3199  1
  Hg  Hg3  4  0.1683  0.5000  0.8448  1
]