data_[Li2Ce6Sc4Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9952]
_cell_length_b [4.3119]
_cell_length_c [8.7125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe3(ScTe3)2]
_chemical_formula_sum '[Li2 Ce6 Sc4 Te12]'
_cell_volume [693.4311]
_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  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1654  0.0000  0.8346  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.1673  0.0000  0.3378  1.0
  Te  Te4  4  0.0069  0.0000  0.2364  1.0
  Te  Te5  4  0.1617  0.5000  0.1002  1.0
  Te  Te6  4  0.1720  0.5000  0.5722  1.0
]