data_[Ce8In4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2870]
_cell_length_b [14.1214]
_cell_length_c [14.2598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce2InSe4]
_chemical_formula_sum '[Ce8 In4 Se16]'
_cell_volume [863.2602]
_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  8  0.0000  0.1354  0.0671  1
  In  In1  4  0.0000  0.4016  0.2500  1
  Se  Se2  8  0.0000  0.2363  0.6108  1
  Se  Se3  4  0.0000  0.0547  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]