data_[Li2Ce6Sm4S12]
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
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9138]
_cell_length_b [11.9911]
_cell_length_c [6.9307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe3(SmS3)2]
_chemical_formula_sum '[Li2 Ce6 Sm4 S12]'
_cell_volume [541.6497]
_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  0.0000  0.0000  1
  Ce  Ce1  4  0.0000  0.1672  0.5000  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.0000  0.3336  0.0000  1
  S  S4  8  0.2429  0.1624  0.2419  1
  S  S5  4  0.2438  0.0000  0.7573  1
]