data_[Li4Al4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4271]
_cell_length_b [7.5697]
_cell_length_c [11.7915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiAlTe3]
_chemical_formula_sum '[Li4 Al4 Te12]'
_cell_volume [639.3480]
_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
[
  Li  Li0  4  0.2419  0.7110  0.3695  1.0
  Al  Al1  4  0.1252  0.1773  0.5614  1.0
  Te  Te2  4  0.1540  0.1138  0.2540  1.0
  Te  Te3  4  0.2378  0.6531  0.1194  1.0
  Te  Te4  4  0.3237  0.1647  0.9751  1.0
]