data_[Ac2Pm4Y12]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7537]
_cell_length_b [6.0142]
_cell_length_c [12.7433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac(PmY3)2]
_chemical_formula_sum '[Ac2 Pm4 Y12]'
_cell_volume [654.2049]
_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  0.5000  0.0000  0.5000  1
  Pm  Pm1  4  0.0572  0.1637  0.3350  1
  Y  Y2  4  0.1593  0.6533  0.4604  1
  Y  Y3  4  0.2194  0.1986  0.6252  1
  Y  Y4  4  0.3680  0.7259  0.7369  1
]