data_[Ce8Zn4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9101]
_cell_length_b [16.5581]
_cell_length_c [11.2742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ZnCuS5]
_chemical_formula_sum '[Ce8 Zn4 Cu4 S20]'
_cell_volume [729.9325]
_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  0.1153  0.6833  1
  Ce  Ce1  4  0.0000  0.1287  0.2943  1
  Zn  Zn2  4  0.0000  0.4263  0.4615  1
  Cu  Cu3  4  0.0000  0.2381  0.0644  1
  S  S4  4  0.0000  0.0419  0.0622  1
  S  S5  4  0.0000  0.2925  0.6547  1
  S  S6  4  0.0000  0.3116  0.3346  1
  S  S7  4  0.0000  0.3621  0.9907  1
  S  S8  4  0.0000  0.4989  0.7781  1
]