data_[Tb6Hg2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4300]
_cell_length_b [4.0100]
_cell_length_c [8.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3HgHSe]
_chemical_formula_sum '[Tb6 Hg2 H2 Se2]'
_cell_volume [287.9471]
_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  0.1048  0.2500  0.8659  1.0
  Tb  Tb1  2  0.1783  0.7500  0.5199  1.0
  Tb  Tb2  2  0.4211  0.7500  0.1824  1.0
  Hg  Hg3  2  0.1742  0.2500  0.2508  1.0
  H  H4  2  0.0888  0.2500  0.5991  1.0
  Se  Se5  2  0.3440  0.7500  0.8454  1.0
]