data_[Nd2Y2Er4Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8764]
_cell_length_b [5.0100]
_cell_length_c [7.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdYEr2Sc]
_chemical_formula_sum '[Nd2 Y2 Er4 Sc2]'
_cell_volume [311.4835]
_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  2  0.2556  0.2500  0.2593  1.0
  Y  Y1  2  0.0545  0.2500  0.8470  1.0
  Er  Er2  2  0.1596  0.7500  0.5526  1.0
  Er  Er3  2  0.3529  0.7500  0.9533  1.0
  Sc  Sc4  2  0.4520  0.2500  0.6499  1.0
]