data_[Tm12Zn4Te24]
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 [Cmc2_1]
_cell_length_a [12.0325]
_cell_length_b [14.8805]
_cell_length_c [7.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3ZnTe6]
_chemical_formula_sum '[Tm12 Zn4 Te24]'
_cell_volume [1268.0377]
_cell_formula_units_Z [4]
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  8  0.1737  0.1018  0.4783  1
  Tm  Tm1  4  0.0000  0.3914  0.3879  1
  Zn  Zn2  4  0.0000  0.2067  0.0273  1
  Te  Te3  8  0.1625  0.4738  0.6819  1
  Te  Te4  8  0.1776  0.2685  0.2111  1
  Te  Te5  4  0.0000  0.0389  0.1695  1
  Te  Te6  4  0.0000  0.2253  0.6581  1
]