data_[Tb6Co2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1548]
_cell_length_b [16.0460]
_cell_length_c [3.5526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb3CoHg2]
_chemical_formula_sum '[Tb6 Co2 Hg4]'
_cell_volume [293.8511]
_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  0.0000  0.1325  0.0000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Co  Co2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.3049  0.5000  1.0
]