data_[Li2Ce1Sc1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2452]
_cell_length_b [7.9046]
_cell_length_c [6.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CeScCl8]
_chemical_formula_sum '[Li2 Ce1 Sc1 Cl8]'
_cell_volume [311.1278]
_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
[
  Li  Li0  2  0.5000  0.2383  0.5000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2009  0.2275  0.8165  1.0
  Cl  Cl4  2  0.2859  0.0000  0.2996  1.0
  Cl  Cl5  2  0.3047  0.5000  0.3250  1.0
]