data_[Tb12Ho12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1498]
_cell_length_b [11.6738]
_cell_length_c [15.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Ho3Hg2]
_chemical_formula_sum '[Tb12 Ho12 Hg8]'
_cell_volume [946.6872]
_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
[
  Tb  Tb0  8  0.0000  0.0407  0.6074  1
  Tb  Tb1  4  0.0000  0.2814  0.7500  1
  Ho  Ho2  8  0.0000  0.3574  0.5330  1
  Ho  Ho3  4  0.0000  0.4302  0.2500  1
  Hg  Hg4  8  0.0000  0.2276  0.1285  1
]