data_[Sr4Ce8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.7120]
_cell_length_b [8.7243]
_cell_length_c [12.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Sr(CeSe2)2]
_chemical_formula_sum '[Sr4 Ce8 Se16]'
_cell_volume [921.3956]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.0000  1
  Ce  Ce1  4  0.0000  0.0000  0.5000  1
  Ce  Ce2  4  0.2500  0.2500  0.7500  1
  Se  Se3  8  0.0000  0.0221  0.7435  1
  Se  Se4  8  0.2396  0.2500  0.5045  1
]