data_[La4Al4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [14.1015]
_cell_length_b [9.9541]
_cell_length_c [4.7867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaAlTe3]
_chemical_formula_sum '[La4 Al4 Te12]'
_cell_volume [671.8258]
_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
[
  La  La0  4  0.2350  0.0000  0.2629  1.0
  Al  Al1  4  0.0000  0.3121  0.5000  1.0
  Te  Te2  8  0.1438  0.1980  0.7585  1.0
  Te  Te3  4  0.1012  0.5000  0.2385  1.0
]