data_[Tb12Hg2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1855]
_cell_length_b [4.0449]
_cell_length_c [12.8972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb6HgTe3]
_chemical_formula_sum '[Tb12 Hg2 Te6]'
_cell_volume [614.9907]
_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  0.0582  0.2500  0.8762  1.0
  Tb  Tb1  2  0.1154  0.7500  0.4635  1.0
  Tb  Tb2  2  0.2070  0.2500  0.2446  1.0
  Tb  Tb3  2  0.2480  0.2500  0.7018  1.0
  Tb  Tb4  2  0.4153  0.7500  0.1119  1.0
  Tb  Tb5  2  0.4861  0.7500  0.6499  1.0
  Hg  Hg6  2  0.0410  0.7500  0.6880  1.0
  Te  Te7  2  0.1601  0.7500  0.0545  1.0
  Te  Te8  2  0.3305  0.2500  0.4887  1.0
  Te  Te9  2  0.3903  0.7500  0.8606  1.0
]