data_[Ac2Pm6Mg12]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5411]
_cell_length_b [5.4538]
_cell_length_c [11.6192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(PmMg2)3]
_chemical_formula_sum '[Ac2 Pm6 Mg12]'
_cell_volume [580.2734]
_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  0.0520  0.2500  0.3949  1
  Pm  Pm1  2  0.2461  0.2500  0.0043  1
  Pm  Pm2  2  0.3534  0.7500  0.7975  1
  Pm  Pm3  2  0.4585  0.2500  0.6102  1
  Mg  Mg4  2  0.0553  0.7500  0.9086  1
  Mg  Mg5  2  0.1501  0.7500  0.1944  1
  Mg  Mg6  2  0.1537  0.2500  0.7143  1
  Mg  Mg7  2  0.2624  0.7500  0.4939  1
  Mg  Mg8  2  0.3491  0.2500  0.2980  1
  Mg  Mg9  2  0.4445  0.7500  0.0960  1
]