data_[Nd2Y12Er6Sc4]
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 [C2/m]
_cell_length_a [6.0861]
_cell_length_b [10.5377]
_cell_length_c [11.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY6Er3Sc2]
_chemical_formula_sum '[Nd2 Y12 Er6 Sc4]'
_cell_volume [736.1356]
_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  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.2490  0.3320  0.7526  1
  Y  Y2  4  0.2465  0.5000  0.2473  1
  Er  Er3  4  0.0000  0.1673  0.5000  1
  Er  Er4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  4  0.0000  0.3334  0.0000  1
]