data_[Nd8Y2Er6]
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 [Pmn2_1]
_cell_length_a [11.6412]
_cell_length_b [7.3340]
_cell_length_c [6.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4YEr3]
_chemical_formula_sum '[Nd8 Y2 Er6]'
_cell_volume [542.2675]
_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  0.2472  0.8715  0.4816  1.0
  Nd  Nd1  2  0.0000  0.1299  0.6499  1.0
  Nd  Nd2  2  0.0000  0.8722  0.1419  1.0
  Y  Y3  2  0.0000  0.3787  0.1502  1.0
  Er  Er4  4  0.2498  0.6204  0.9812  1.0
  Er  Er5  2  0.0000  0.6185  0.6477  1.0
]