data_[Nd10Y12Er2]
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 [C2/m]
_cell_length_a [6.2834]
_cell_length_b [10.8719]
_cell_length_c [11.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Y6Er]
_chemical_formula_sum '[Nd10 Y12 Er2]'
_cell_volume [802.3999]
_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  0.0000  0.1667  0.5000  1.0
  Nd  Nd1  4  0.0000  0.3335  0.0000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2497  0.1663  0.2488  1.0
  Y  Y4  4  0.2492  0.0000  0.7509  1.0
  Er  Er5  2  0.0000  0.0000  0.0000  1.0
]