data_[Ce4In4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0981]
_cell_length_b [4.0554]
_cell_length_c [12.0658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2In2S5]
_chemical_formula_sum '[Ce4 In4 S10]'
_cell_volume [564.4524]
_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  0.1689  0.5000  0.0814  1
  In  In1  4  0.1196  0.5000  0.6003  1
  S  S2  4  0.1649  0.5000  0.8434  1
  S  S3  4  0.2429  0.0000  0.6384  1
  S  S4  2  0.0000  0.0000  0.0000  1
]