data_[Nd8Er6]
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 [C2/m]
_cell_length_a [11.3583]
_cell_length_b [5.1002]
_cell_length_c [8.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Er3]
_chemical_formula_sum '[Nd8 Er6]'
_cell_volume [464.1017]
_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  0.1421  0.0000  0.4262  1
  Nd  Nd1  4  0.2141  0.5000  0.1409  1
  Er  Er2  4  0.0709  0.5000  0.7141  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
]