data_[Tb4Cd5Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7870]
_cell_length_b [3.5771]
_cell_length_c [10.1751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4Cd5Hg2]
_chemical_formula_sum '[Tb4 Cd5 Hg2]'
_cell_volume [282.3834]
_cell_formula_units_Z [1]
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  2  0.1663  0.5000  0.8827  1.0
  Tb  Tb1  2  0.2656  0.5000  0.4417  1.0
  Cd  Cd2  2  0.1939  0.0000  0.1576  1.0
  Cd  Cd3  2  0.4467  0.0000  0.7020  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg5  2  0.0648  0.0000  0.6407  1.0
]