data_[Li6Ce2Pr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7859]
_cell_length_b [13.4912]
_cell_length_c [7.5578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ce(PrTe3)2]
_chemical_formula_sum '[Li6 Ce2 Pr4 Te12]'
_cell_volume [745.8910]
_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
[
  Li  Li0  4  0.0000  0.1684  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr3  4  0.0000  0.3335  0.0000  1.0
  Te  Te4  8  0.2462  0.3340  0.7364  1.0
  Te  Te5  4  0.2443  0.0000  0.7369  1.0
]