data_[Tb12Hg2Te6P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5791]
_cell_length_b [4.1662]
_cell_length_c [8.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6HgTe3P2]
_chemical_formula_sum '[Tb12 Hg2 Te6 P4]'
_cell_volume [653.0873]
_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  0.0130  0.0000  0.2541  1.0
  Tb  Tb1  4  0.1674  0.5000  0.1147  1.0
  Tb  Tb2  4  0.1754  0.5000  0.5638  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1637  0.0000  0.8325  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1694  0.0000  0.3389  1.0
]