data_[Nd13Er2]
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 [P-1]
_cell_length_a [6.8340]
_cell_length_b [9.1621]
_cell_length_c [9.1666]
_cell_angle_alpha [65.1935]
_cell_angle_beta [81.7335]
_cell_angle_gamma [81.6711]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd13Er2]
_chemical_formula_sum '[Nd13 Er2]'
_cell_volume [513.2969]
_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
[
  Nd  Nd0  2  0.1009  0.4348  0.7670  1.0
  Nd  Nd1  2  0.1935  0.1928  0.2095  1.0
  Nd  Nd2  2  0.2987  0.6267  0.9750  1.0
  Nd  Nd3  2  0.3037  0.9618  0.6375  1.0
  Nd  Nd4  2  0.3960  0.3966  0.4067  1.0
  Nd  Nd5  2  0.4990  0.1701  0.8341  1.0
  Nd  Nd6  1  0.0000  0.0000  0.0000  1.0
  Er  Er7  2  0.0997  0.7694  0.4283  1.0
]