data_[Ce10Al4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3650]
_cell_length_b [7.0225]
_cell_length_c [8.6765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5(AlS6)2]
_chemical_formula_sum '[Ce10 Al4 S24]'
_cell_volume [896.7939]
_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
[
  Ce  Ce0  4  0.1879  0.5000  0.8441  1.0
  Ce  Ce1  4  0.1963  0.5000  0.3483  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Al  Al3  4  0.0000  0.2470  0.0000  1.0
  S  S4  8  0.1516  0.2493  0.5718  1.0
  S  S5  8  0.1661  0.2534  0.0863  1.0
  S  S6  4  0.0016  0.0000  0.8114  1.0
  S  S7  4  0.0017  0.5000  0.1926  1.0
]