data_[Nd4Ho2Er12Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  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 [6.0464]
_cell_length_b [10.4504]
_cell_length_c [11.4707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ho(Er2Sc)3]
_chemical_formula_sum '[Nd4 Ho2 Er12 Sc6]'
_cell_volume [713.5189]
_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  0.3332  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  Er  Er2  8  0.2464  0.3337  0.7382  1.0
  Er  Er3  4  0.2454  0.0000  0.7382  1.0
  Sc  Sc4  4  0.0000  0.1662  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]