data_[La4Te8]
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
]
_symmetry_space_group_name_H-M [Pma2]
_cell_length_a [9.2329]
_cell_length_b [4.5640]
_cell_length_c [9.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [LaTe2]
_chemical_formula_sum '[La4 Te8]'
_cell_volume [389.3275]
_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  2  0.0000  0.5000  0.2732  1.0
  La  La1  2  0.2500  0.0192  0.7267  1.0
  Te  Te2  2  0.0000  0.0000  0.0012  1.0
  Te  Te3  2  0.0000  0.5000  0.6335  1.0
  Te  Te4  2  0.2500  0.0053  0.3663  1.0
  Te  Te5  2  0.2500  0.5624  0.9996  1.0
]