data_[Nd2Y12Er5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5451]
_cell_length_b [8.6758]
_cell_length_c [11.7760]
_cell_angle_alpha [88.8763]
_cell_angle_beta [87.4447]
_cell_angle_gamma [67.8549]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd2Y12Er5]
_chemical_formula_sum '[Nd2 Y12 Er5]'
_cell_volume [618.7437]
_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  1  0.3421  0.9815  0.0006  1
  Nd  Nd1  1  0.7842  0.0960  0.9999  1
  Y  Y2  1  0.0083  0.0830  0.2606  1
  Y  Y3  1  0.1439  0.6954  0.1201  1
  Y  Y4  1  0.1523  0.8710  0.7616  1
  Y  Y5  1  0.2881  0.0865  0.4997  1
  Y  Y6  1  0.4052  0.2861  0.2285  1
  Y  Y7  1  0.4142  0.4744  0.8834  1
  Y  Y8  1  0.6273  0.6599  0.6234  1
  Y  Y9  1  0.6887  0.2835  0.4999  1
  Y  Y10  1  0.7565  0.4822  0.1188  1
  Y  Y11  1  0.8129  0.6923  0.8798  1
  Y  Y12  1  0.8893  0.8879  0.4994  1
  Y  Y13  1  0.9664  0.2856  0.7708  1
  Er  Er14  1  0.2014  0.5102  0.6219  1
  Er  Er15  1  0.3757  0.6554  0.3742  1
  Er  Er16  1  0.5664  0.0819  0.7389  1
  Er  Er17  1  0.6297  0.8739  0.2417  1
  Er  Er18  1  0.9474  0.5133  0.3768  1
]