data_[Nd6Tm2Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [6.0098]
_cell_length_b [8.3031]
_cell_length_c [8.3649]
_cell_angle_alpha [105.0454]
_cell_angle_beta [108.5114]
_cell_angle_gamma [108.1455]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd6Tm2Sc3]
_chemical_formula_sum '[Nd6 Tm2 Sc3]'
_cell_volume [345.0859]
_cell_formula_units_Z [1]
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  0.0729  0.6418  0.7082  1
  Nd  Nd1  2  0.3527  0.4503  0.1254  1
  Nd  Nd2  2  0.4906  0.0922  0.8221  1
  Tm  Tm3  2  0.0397  0.8202  0.3582  1
  Sc  Sc4  2  0.4346  0.2597  0.4439  1
  Sc  Sc5  1  0.0000  0.0000  0.0000  1
]