data_[Ac10Nd12Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4199]
_cell_length_b [10.5884]
_cell_length_c [16.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac5Nd6Er]
_chemical_formula_sum '[Ac10 Nd12 Er2]'
_cell_volume [928.2436]
_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  4  0.0000  0.0000  0.3328  1
  Ac  Ac1  4  0.0000  0.5000  0.3380  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Nd  Nd3  8  0.0000  0.2470  0.1645  1
  Nd  Nd4  4  0.0000  0.2535  0.5000  1
  Er  Er5  2  0.0000  0.0000  0.0000  1
]