data_[Pr6Dy4Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7948]
_cell_length_b [5.5120]
_cell_length_c [22.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Dy2Hg3]
_chemical_formula_sum '[Pr6 Dy4 Hg6]'
_cell_volume [473.0393]
_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  0.0000  0.0000  0.3775  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.5000  0.2662  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1241  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]