data_[Pr12Tm12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1728]
_cell_length_b [11.7885]
_cell_length_c [16.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Tm3Hg2]
_chemical_formula_sum '[Pr12 Tm12 Hg8]'
_cell_volume [984.3556]
_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  0.0402  0.6073  1.0
  Pr  Pr1  4  0.0000  0.2870  0.7500  1.0
  Tm  Tm2  8  0.0000  0.3585  0.5353  1.0
  Tm  Tm3  4  0.0000  0.4259  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2357  0.1226  1.0
]