data_[Ac2Nd4Er5]
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 [P2/m]
_cell_length_a [8.6762]
_cell_length_b [3.6708]
_cell_length_c [12.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac2Nd4Er5]
_chemical_formula_sum '[Ac2 Nd4 Er5]'
_cell_volume [390.0338]
_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  0.2680  0.0000  0.8307  1
  Nd  Nd1  2  0.2062  0.0000  0.5250  1
  Nd  Nd2  2  0.3191  0.0000  0.1263  1
  Er  Er3  2  0.0631  0.5000  0.2931  1
  Er  Er4  2  0.4664  0.5000  0.3595  1
  Er  Er5  1  0.0000  0.5000  0.0000  1
]