data_[Ce8Ga4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8787]
_cell_length_b [17.1119]
_cell_length_c [11.3733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2GaPdS5]
_chemical_formula_sum '[Ce8 Ga4 Pd4 S20]'
_cell_volume [754.8751]
_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  0.1249  0.6757  1.0
  Ce  Ce1  4  0.0000  0.1302  0.2971  1.0
  Ga  Ga2  4  0.0000  0.4283  0.4517  1.0
  Pd  Pd3  4  0.0000  0.2454  0.0645  1.0
  S  S4  4  0.0000  0.0416  0.0590  1.0
  S  S5  4  0.0000  0.2954  0.6690  1.0
  S  S6  4  0.0000  0.3155  0.3460  1.0
  S  S7  4  0.0000  0.3716  0.9857  1.0
  S  S8  4  0.0000  0.4974  0.2752  1.0
]