data_[Ac4Pr6S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5197]
_cell_length_b [8.5243]
_cell_length_c [7.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Pr3S8]
_chemical_formula_sum '[Ac4 Pr6 S16]'
_cell_volume [818.3660]
_cell_formula_units_Z [2]
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  0.2296  0.5000  0.6513  1
  Pr  Pr1  4  0.0000  0.2636  0.0000  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1223  0.2253  0.4119  1
  S  S4  4  0.1121  0.0000  0.9298  1
  S  S5  4  0.1218  0.5000  0.9380  1
]