data_[Nd2Tm2Sc6]
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 [6.1690]
_cell_length_b [6.1705]
_cell_length_c [8.4100]
_cell_angle_alpha [74.5169]
_cell_angle_beta [75.5534]
_cell_angle_gamma [66.2414]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NdTmSc3]
_chemical_formula_sum '[Nd2 Tm2 Sc6]'
_cell_volume [278.6942]
_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  0.2659  0.2660  0.9982  1.0
  Tm  Tm1  2  0.1846  0.7010  0.2275  1.0
  Sc  Sc2  2  0.1457  0.1493  0.4036  1.0
  Sc  Sc3  2  0.3128  0.8081  0.7592  1.0
  Sc  Sc4  2  0.3537  0.3475  0.5919  1.0
]