data_[Tm16Bi6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1783]
_cell_length_b [12.2020]
_cell_length_c [8.5780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Bi3Te4]
_chemical_formula_sum '[Tm16 Bi6 Te8]'
_cell_volume [907.5544]
_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  0.0000  0.2500  0.5000  1.0
  Tm  Tm1  4  0.0000  0.2631  0.0000  1.0
  Tm  Tm2  4  0.2334  0.5000  0.0016  1.0
  Tm  Tm3  4  0.2413  0.5000  0.4807  1.0
  Bi  Bi4  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  4  0.2500  0.2500  0.5000  1.0
  Te  Te7  2  0.0000  0.0000  0.0000  1.0
  Te  Te8  2  0.0000  0.0000  0.5000  1.0
]