data_[Nd6Er26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9468]
_cell_length_b [10.0338]
_cell_length_c [10.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3Er13]
_chemical_formula_sum '[Nd6 Er26]'
_cell_volume [1003.1337]
_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
[
  Nd  Nd0  4  0.2507  0.0000  0.9988  1.0
  Nd  Nd1  2  0.0000  0.0000  0.2522  1.0
  Er  Er2  8  0.2511  0.2492  0.7499  1.0
  Er  Er3  4  0.0000  0.2478  0.5002  1.0
  Er  Er4  4  0.2515  0.0000  0.5011  1.0
  Er  Er5  4  0.5000  0.2484  0.5000  1.0
  Er  Er6  2  0.0000  0.0000  0.7481  1.0
  Er  Er7  2  0.5000  0.0000  0.2520  1.0
  Er  Er8  2  0.5000  0.0000  0.7477  1.0
]