data_[Cs2Li12Te7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.5504]
_cell_length_b [11.5504]
_cell_length_c [4.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Cs2Li12Te7]
_chemical_formula_sum '[Cs2 Li12 Te7]'
_cell_volume [536.7283]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.7450  1
  Li  Li1  6  0.0563  0.6272  0.2518  1
  Li  Li2  6  0.1207  0.8703  0.7363  1
  Te  Te3  6  0.0947  0.3950  0.2430  1
  Te  Te4  1  0.0000  0.0000  0.5000  1
]