data_[Tm12Al4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9915]
_cell_length_b [14.8521]
_cell_length_c [7.1956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3AlTe6]
_chemical_formula_sum '[Tm12 Al4 Te24]'
_cell_volume [1281.5193]
_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  0.1813  0.0972  0.9868  1.0
  Tm  Tm1  4  0.0000  0.4054  0.8789  1.0
  Al  Al2  4  0.0000  0.2049  0.5233  1.0
  Te  Te3  8  0.1640  0.4628  0.1804  1.0
  Te  Te4  8  0.1705  0.2705  0.7100  1.0
  Te  Te5  4  0.0000  0.0396  0.6711  1.0
  Te  Te6  4  0.0000  0.2206  0.1578  1.0
]