data_[Pr4Er6Hg4]
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 [12.0041]
_cell_length_b [4.7765]
_cell_length_c [8.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Er3Hg2]
_chemical_formula_sum '[Pr4 Er6 Hg4]'
_cell_volume [425.8547]
_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  0.1356  0.0000  0.7884  1.0
  Er  Er1  4  0.1283  0.5000  0.4547  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1501  0.0000  0.2024  1.0
]