data_[Nd4Y6Ho12Sc2]
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
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1283]
_cell_length_b [10.6097]
_cell_length_c [11.7528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y3Ho6Sc]
_chemical_formula_sum '[Nd4 Y6 Ho12 Sc2]'
_cell_volume [752.6266]
_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  0.3336  0.0000  1
  Y  Y1  4  0.0000  0.1662  0.5000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Ho  Ho3  8  0.2482  0.1651  0.2494  1
  Ho  Ho4  4  0.2470  0.0000  0.7502  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]