data_[Pr12Er12Hg8]
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 [Cmcm]
_cell_length_a [5.2172]
_cell_length_b [11.8461]
_cell_length_c [16.1093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Er3Hg2]
_chemical_formula_sum '[Pr12 Er12 Hg8]'
_cell_volume [995.6134]
_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  0.0000  0.0404  0.6077  1.0
  Pr  Pr1  4  0.0000  0.2868  0.7500  1.0
  Er  Er2  8  0.0000  0.3590  0.5349  1.0
  Er  Er3  4  0.0000  0.4270  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2343  0.1235  1.0
]