data_[Tm12Zn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.8266]
_cell_length_b [3.9322]
_cell_length_c [12.5603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6ZnTe3]
_chemical_formula_sum '[Tm12 Zn2 Te6]'
_cell_volume [566.7081]
_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  2  0.0526  0.2500  0.8649  1.0
  Tm  Tm1  2  0.1082  0.7500  0.4591  1.0
  Tm  Tm2  2  0.2097  0.2500  0.2428  1.0
  Tm  Tm3  2  0.2402  0.2500  0.6965  1.0
  Tm  Tm4  2  0.4193  0.7500  0.1173  1.0
  Tm  Tm5  2  0.4859  0.7500  0.6506  1.0
  Zn  Zn6  2  0.0413  0.7500  0.6855  1.0
  Te  Te7  2  0.1597  0.7500  0.0465  1.0
  Te  Te8  2  0.3292  0.2500  0.4869  1.0
  Te  Te9  2  0.3814  0.7500  0.8621  1.0
]