data_[Ac3Ce3Pm12Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.7358]
_cell_length_b [8.7358]
_cell_length_c [21.4776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcCe(PmSe2)4]
_chemical_formula_sum '[Ac3 Ce3 Pm12 Se24]'
_cell_volume [1419.4562]
_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  0.6248  1
  Ce  Ce1  3  0.0000  0.0000  0.0021  1
  Pm  Pm2  9  0.1697  0.3394  0.8325  1
  Pm  Pm3  3  0.0000  0.0000  0.3751  1
  Se  Se4  9  0.0157  0.5078  0.7532  1
  Se  Se5  9  0.1832  0.3665  0.5783  1
  Se  Se6  3  0.0000  0.0000  0.2434  1
  Se  Se7  3  0.0000  0.0000  0.7625  1
]