data_[Nd6Y3Er3]
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 [R3m]
_cell_length_a [3.6255]
_cell_length_b [3.6255]
_cell_length_c [35.1965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd2YEr]
_chemical_formula_sum '[Nd6 Y3 Er3]'
_cell_volume [400.6448]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0827  1.0
  Nd  Nd1  3  0.0000  0.0000  0.2504  1.0
  Y  Y2  3  0.0000  0.0000  0.4997  1.0
  Er  Er3  3  0.0000  0.0000  0.6671  1.0
]