data_[Zr4Al2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4287]
_cell_length_b [3.7684]
_cell_length_c [19.4776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2AlTe6]
_chemical_formula_sum '[Zr4 Al2 Te12]'
_cell_volume [1572.8614]
_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
[
  Zr  Zr0  4  0.1397  0.0000  0.5240  1
  Al  Al1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.0747  0.5000  0.6149  1
  Te  Te3  4  0.1017  0.5000  0.4168  1
  Te  Te4  4  0.2388  0.5000  0.5665  1
]