data_[Ac8Pr4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  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 [4.1101]
_cell_length_b [17.0838]
_cell_length_c [12.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2PrCuS5]
_chemical_formula_sum '[Ac8 Pr4 Cu4 S20]'
_cell_volume [878.2998]
_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
[
  Ac  Ac0  4  0.0000  0.1145  0.6941  1
  Ac  Ac1  4  0.0000  0.1205  0.3464  1
  Pr  Pr2  4  0.0000  0.1773  0.0267  1
  Cu  Cu3  4  0.0000  0.4503  0.4231  1
  S  S4  4  0.0000  0.0149  0.0069  1
  S  S5  4  0.0000  0.2997  0.6866  1
  S  S6  4  0.0000  0.3155  0.3651  1
  S  S7  4  0.0000  0.3448  0.0203  1
  S  S8  4  0.0000  0.4930  0.7549  1
]