data_[Nd12Ho2Tm2Sc4]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.4915]
_cell_length_b [8.7877]
_cell_length_c [10.0641]
_cell_angle_alpha [75.7655]
_cell_angle_beta [79.9153]
_cell_angle_gamma [62.5114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd6HoTmSc2]
_chemical_formula_sum '[Nd12 Ho2 Tm2 Sc4]'
_cell_volume [644.0980]
_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  0.1901  0.5920  0.8380  1.0
  Nd  Nd1  2  0.2009  0.3407  0.5947  1.0
  Nd  Nd2  2  0.3834  0.8601  0.6069  1.0
  Nd  Nd3  2  0.3895  0.6135  0.3609  1.0
  Nd  Nd4  2  0.3915  0.9953  0.2343  1.0
  Nd  Nd5  2  0.4065  0.7503  0.9917  1.0
  Ho  Ho6  2  0.1827  0.4522  0.2026  1.0
  Tm  Tm7  2  0.0093  0.9439  0.1929  1.0
  Sc  Sc8  2  0.0011  0.8203  0.5597  1.0
  Sc  Sc9  2  0.1959  0.2144  0.9579  1.0
]