data_[Sr4Ce4Cu4Se8S4]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1194]
_cell_length_b [13.5616]
_cell_length_c [10.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrCeCuSe2S]
_chemical_formula_sum '[Sr4 Ce4 Cu4 Se8 S4]'
_cell_volume [601.8384]
_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  0.2625  0.7500  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4720  0.2500  1
  Se  Se3  8  0.0000  0.3530  0.0755  1
  S  S4  4  0.0000  0.0730  0.2500  1
]