data_[Nd16Er6Sc4]
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 [C2/m]
_cell_length_a [15.1381]
_cell_length_b [9.2349]
_cell_length_c [6.7568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Er3Sc2]
_chemical_formula_sum '[Nd16 Er6 Sc4]'
_cell_volume [892.3904]
_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  8  0.1224  0.3188  0.6942  1
  Nd  Nd1  4  0.1002  0.5000  0.2092  1
  Nd  Nd2  4  0.1881  0.0000  0.3884  1
  Er  Er3  4  0.0000  0.1680  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
  Sc  Sc5  4  0.1917  0.0000  0.9172  1
]