data_[Ac4Ce2Pm6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  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 [18.0114]
_cell_length_b [4.1049]
_cell_length_c [8.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Ce(PmS2)3]
_chemical_formula_sum '[Ac4 Ce2 Pm6 S12]'
_cell_volume [597.0597]
_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  0.1646  0.0000  0.3308  1
  Ce  Ce1  2  0.0000  0.5000  0.0000  1
  Pm  Pm2  4  0.1673  0.0000  0.8366  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0051  0.0000  0.7516  1
  S  S5  4  0.1633  0.5000  0.5945  1
  S  S6  4  0.1665  0.5000  0.0718  1
]