data_[Ce8In4Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0627]
_cell_length_b [17.5263]
_cell_length_c [12.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2InCuSe5]
_chemical_formula_sum '[Ce8 In4 Cu4 Se20]'
_cell_volume [860.8916]
_cell_formula_units_Z [4]
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  0.0000  0.1143  0.6841  1
  Ce  Ce1  4  0.0000  0.1185  0.3042  1
  In  In2  4  0.0000  0.1845  0.9974  1
  Cu  Cu3  4  0.0000  0.4895  0.9870  1
  Se  Se4  4  0.0000  0.0360  0.0668  1
  Se  Se5  4  0.0000  0.2930  0.6626  1
  Se  Se6  4  0.0000  0.2979  0.3342  1
  Se  Se7  4  0.0000  0.3484  0.9981  1
  Se  Se8  4  0.0000  0.4946  0.2896  1
]