data_[Ac8Pm2S14]
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 [Cm]
_cell_length_a [14.0356]
_cell_length_b [4.1604]
_cell_length_c [12.2638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac4PmS7]
_chemical_formula_sum '[Ac8 Pm2 S14]'
_cell_volume [689.7486]
_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  2  0.0003  0.0000  0.9959  1
  Ac  Ac1  2  0.1098  0.0000  0.4282  1
  Ac  Ac2  2  0.1994  0.5000  0.8057  1
  Ac  Ac3  2  0.3042  0.0000  0.1961  1
  Pm  Pm4  2  0.3868  0.5000  0.5774  1
  S  S5  2  0.0419  0.0000  0.7748  1
  S  S6  2  0.1607  0.5000  0.0500  1
  S  S7  2  0.2408  0.5000  0.3596  1
  S  S8  2  0.2702  0.0000  0.6482  1
  S  S9  2  0.3401  0.0000  0.9505  1
  S  S10  2  0.4574  0.5000  0.2149  1
  S  S11  2  0.4882  0.0000  0.4985  1
]