data_[Tb4Y2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8862]
_cell_length_b [5.0070]
_cell_length_c [7.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2YHg8]
_chemical_formula_sum '[Tb4 Y2 Hg16]'
_cell_volume [548.3709]
_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
[
  Tb  Tb0  4  0.2150  0.0000  0.6569  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0277  0.0000  0.7298  1.0
  Hg  Hg3  4  0.0967  0.5000  0.4542  1.0
  Hg  Hg4  4  0.1504  0.0000  0.1812  1.0
  Hg  Hg5  4  0.1718  0.5000  0.9004  1.0
]