data_[Na2La10Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6804]
_cell_length_b [9.6804]
_cell_length_c [9.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NaLa5Te8]
_chemical_formula_sum '[Na2 La10 Te16]'
_cell_volume [913.3663]
_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
[
  Na  Na0  2  0.0000  0.5000  0.2500  1.0
  La  La1  8  0.1273  0.7529  0.8790  1.0
  La  La2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.0756  0.8257  0.2041  1.0
  Te  Te4  8  0.0768  0.6775  0.5586  1.0
]