data_[Ac2Pr5Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1583]
_cell_length_b [8.9622]
_cell_length_c [11.9295]
_cell_angle_alpha [91.5172]
_cell_angle_beta [103.2554]
_cell_angle_gamma [95.5543]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2Pr5Er12]
_chemical_formula_sum '[Ac2 Pr5 Er12]'
_cell_volume [637.0600]
_cell_formula_units_Z [1]
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  0.2110  0.9674  0.9154  1
  Pr  Pr1  2  0.1772  0.3480  0.0260  1
  Pr  Pr2  2  0.4565  0.1982  0.5497  1
  Pr  Pr3  1  0.0000  0.5000  0.5000  1
  Er  Er4  2  0.0132  0.2378  0.7110  1
  Er  Er5  2  0.0914  0.8768  0.6094  1
  Er  Er6  2  0.2484  0.5960  0.8102  1
  Er  Er7  2  0.3334  0.4420  0.3259  1
  Er  Er8  2  0.3524  0.0731  0.2417  1
  Er  Er9  2  0.4131  0.7092  0.1392  1
]