data_[Nd6Y2Er8]
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 [11.4644]
_cell_length_b [7.3178]
_cell_length_c [6.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3YEr4]
_chemical_formula_sum '[Nd6 Y2 Er8]'
_cell_volume [529.0975]
_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  0.2491  0.3720  0.4839  1.0
  Nd  Nd1  2  0.0000  0.6292  0.6472  1.0
  Y  Y2  2  0.0000  0.3695  0.1447  1.0
  Er  Er3  4  0.2485  0.1202  0.9802  1.0
  Er  Er4  2  0.0000  0.1196  0.6477  1.0
  Er  Er5  2  0.0000  0.8785  0.1475  1.0
]