data_[Nd8Er6Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4385]
_cell_length_b [5.5339]
_cell_length_c [34.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd4Er3Sc4]
_chemical_formula_sum '[Nd8 Er6 Sc8]'
_cell_volume [658.5500]
_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  0.0000  0.2698  1.0
  Nd  Nd1  4  0.0000  0.5000  0.4088  1.0
  Er  Er2  4  0.0000  0.5000  0.1360  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc4  4  0.0000  0.0000  0.4558  1.0
  Sc  Sc5  4  0.0000  0.5000  0.3198  1.0
]