data_[Na4Al4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.6976]
_cell_length_b [8.1043]
_cell_length_c [11.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaAlTe3]
_chemical_formula_sum '[Na4 Al4 Te12]'
_cell_volume [731.7220]
_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
[
  Na  Na0  4  0.2291  0.2059  0.8733  1.0
  Al  Al1  4  0.1294  0.6647  0.0522  1.0
  Te  Te2  4  0.2004  0.6244  0.7439  1.0
  Te  Te3  4  0.2172  0.1463  0.6125  1.0
  Te  Te4  4  0.3206  0.6852  0.4658  1.0
]