data_[Ac4Sm8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  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 [3.9345]
_cell_length_b [19.3309]
_cell_length_c [11.0793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AcSm2CuS5]
_chemical_formula_sum '[Ac4 Sm8 Cu4 S20]'
_cell_volume [842.6504]
_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  0.2043  0.0032  1
  Sm  Sm1  4  0.0000  0.0817  0.6829  1
  Sm  Sm2  4  0.0000  0.1064  0.3099  1
  Cu  Cu3  4  0.0000  0.4366  0.4520  1
  S  S4  4  0.0000  0.0526  0.0607  1
  S  S5  4  0.0000  0.3041  0.7044  1
  S  S6  4  0.0000  0.3384  0.3221  1
  S  S7  4  0.0000  0.3662  0.0058  1
  S  S8  4  0.0000  0.4948  0.7830  1
]