data_[Pr4Er2Hg16]
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 [C2/m]
_cell_length_a [16.0008]
_cell_length_b [5.1172]
_cell_length_c [7.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2ErHg8]
_chemical_formula_sum '[Pr4 Er2 Hg16]'
_cell_volume [562.2745]
_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  4  0.2102  0.0000  0.6594  1.0
  Er  Er1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0167  0.0000  0.7295  1.0
  Hg  Hg3  4  0.0931  0.5000  0.4438  1.0
  Hg  Hg4  4  0.1518  0.0000  0.1588  1.0
  Hg  Hg5  4  0.1639  0.5000  0.8887  1.0
]