data_[Ac4Pm6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4154]
_cell_length_b [8.4271]
_cell_length_c [6.9821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Pm3S8]
_chemical_formula_sum '[Ac4 Pm6 S16]'
_cell_volume [795.0957]
_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  0.2295  0.5000  0.6531  1
  Pm  Pm1  4  0.0000  0.2629  0.0000  1
  Pm  Pm2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1204  0.2252  0.4103  1
  S  S4  4  0.1106  0.0000  0.9264  1
  S  S5  4  0.1216  0.5000  0.9447  1
]