data_[Ce4Er8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0334]
_cell_length_b [13.3494]
_cell_length_c [13.8002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(ErSe2)2]
_chemical_formula_sum '[Ce4 Er8 Se16]'
_cell_volume [743.0533]
_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  0.3797  0.2500  1.0
  Er  Er1  8  0.0000  0.1318  0.0661  1.0
  Se  Se2  8  0.0000  0.2277  0.6197  1.0
  Se  Se3  4  0.0000  0.0438  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]