data_[La8Te6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9292]
_cell_length_b [12.7062]
_cell_length_c [4.5197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La4Te3Cl]
_chemical_formula_sum '[La8 Te6 Cl2]'
_cell_volume [512.7896]
_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
[
  La  La0  4  0.0000  0.2432  0.5000  1
  La  La1  4  0.2370  0.0000  0.0000  1
  Te  Te2  4  0.2500  0.2500  0.0000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.5000  1
]