data_[Ac3Pm6Sc3Se18]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3937]
_cell_length_b [7.3937]
_cell_length_c [19.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AcPm2ScSe6]
_chemical_formula_sum '[Ac3 Pm6 Sc3 Se18]'
_cell_volume [929.6895]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8084  1
  Pm  Pm1  3  0.0000  0.0000  0.0123  1
  Pm  Pm2  3  0.0000  0.0000  0.5228  1
  Sc  Sc3  3  0.0000  0.0000  0.3225  1
  Se  Se4  9  0.0034  0.3636  0.5843  1
  Se  Se5  9  0.0629  0.6907  0.0809  1
]