data_[Tb4In4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8935]
_cell_length_b [16.0158]
_cell_length_c [7.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbInHg4]
_chemical_formula_sum '[Tb4 In4 Hg16]'
_cell_volume [605.6762]
_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  4  0.0000  0.1656  0.2500  1.0
  In  In1  4  0.0000  0.1621  0.7500  1.0
  Hg  Hg2  8  0.0000  0.3310  0.0172  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4778  0.7500  1.0
]