data_[Tm8Hg2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [6.0876]
_cell_length_b [6.4431]
_cell_length_c [8.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm4HgTe]
_chemical_formula_sum '[Tm8 Hg2 Te2]'
_cell_volume [329.1959]
_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
[
  Tm  Tm0  4  0.1366  0.0008  0.3076  1.0
  Tm  Tm1  2  0.3492  0.7500  0.9510  1.0
  Tm  Tm2  2  0.3778  0.2500  0.6509  1.0
  Hg  Hg3  2  0.2930  0.7500  0.6054  1.0
  Te  Te4  2  0.1563  0.2500  0.9725  1.0
]