data_[Ce8Cu4As4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8416]
_cell_length_b [16.2968]
_cell_length_c [11.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2CuAsS5]
_chemical_formula_sum '[Ce8 Cu4 As4 S20]'
_cell_volume [742.4931]
_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  0.1155  0.6949  1
  Ce  Ce1  4  0.0000  0.1225  0.3425  1
  Cu  Cu2  4  0.0000  0.4351  0.4267  1
  As  As3  4  0.0000  0.1742  0.0396  1
  S  S4  4  0.0000  0.0327  0.0279  1
  S  S5  4  0.0000  0.2982  0.6711  1
  S  S6  4  0.0000  0.3046  0.3417  1
  S  S7  4  0.0000  0.3533  0.0175  1
  S  S8  4  0.0000  0.4929  0.7621  1
]