data_[Pr12Er4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9944]
_cell_length_b [15.7130]
_cell_length_c [6.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3ErHg2]
_chemical_formula_sum '[Pr12 Er4 Hg8]'
_cell_volume [760.9009]
_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  0.2430  0.8174  0.0000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2500  1.0
  Er  Er2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.2365  0.1257  0.0000  1.0
]