data_[Sr4Ce4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2767]
_cell_length_b [8.7858]
_cell_length_c [10.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCeCl5]
_chemical_formula_sum '[Sr4 Ce4 Cl20]'
_cell_volume [1024.4999]
_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  0.4601  0.2500  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0231  0.3098  0.9667  1.0
  Cl  Cl3  8  0.2423  0.0381  0.6332  1.0
  Cl  Cl4  4  0.0000  0.1147  0.2500  1.0
]