data_[Tb6Co2Hg2]
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 [P-1]
_cell_length_a [5.5310]
_cell_length_b [6.5063]
_cell_length_c [8.2355]
_cell_angle_alpha [69.2493]
_cell_angle_beta [77.4096]
_cell_angle_gamma [65.7804]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb3CoHg]
_chemical_formula_sum '[Tb6 Co2 Hg2]'
_cell_volume [251.8287]
_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  2  0.1262  0.0334  0.7774  1.0
  Tb  Tb1  2  0.1359  0.3166  0.3146  1.0
  Tb  Tb2  2  0.4608  0.3394  0.8811  1.0
  Co  Co3  2  0.0628  0.6594  0.0223  1.0
  Hg  Hg4  2  0.3919  0.7630  0.4808  1.0
]