data_[Ac24Pm6S36]
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 [R-3c]
_cell_length_a [11.9338]
_cell_length_b [11.9338]
_cell_length_c [14.4377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ac4PmS6]
_chemical_formula_sum '[Ac24 Pm6 S36]'
_cell_volume [1780.6783]
_cell_formula_units_Z [6]
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  18  0.0000  0.3760  0.7500  1
  Ac  Ac1  6  0.0000  0.0000  0.2500  1
  Pm  Pm2  6  0.0000  0.0000  0.0000  1
  S  S3  36  0.0267  0.2004  0.8880  1
]