data_[Nd26Er6]
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 [10.3117]
_cell_length_b [10.2456]
_cell_length_c [10.2778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd13Er3]
_chemical_formula_sum '[Nd26 Er6]'
_cell_volume [1085.8497]
_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  8  0.2483  0.2488  0.2500  1.0
  Nd  Nd1  4  0.0000  0.2474  0.0001  1.0
  Nd  Nd2  4  0.2482  0.0000  0.4987  1.0
  Nd  Nd3  4  0.5000  0.2479  1.0000  1.0
  Nd  Nd4  2  0.0000  0.0000  0.7526  1.0
  Nd  Nd5  2  0.5000  0.0000  0.2478  1.0
  Nd  Nd6  2  0.5000  0.0000  0.7521  1.0
  Er  Er7  4  0.2486  0.0000  0.0015  1.0
  Er  Er8  2  0.0000  0.0000  0.2472  1.0
]