data_[Nd2Tm4Th2Sc2]
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
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7858]
_cell_length_b [4.9868]
_cell_length_c [7.8314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdTm2ThSc]
_chemical_formula_sum '[Nd2 Tm4 Th2 Sc2]'
_cell_volume [304.0419]
_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  0.2492  0.2500  0.7460  1
  Tm  Tm1  2  0.1588  0.7500  0.4463  1
  Tm  Tm2  2  0.3475  0.7500  0.0500  1
  Th  Th3  2  0.0539  0.2500  0.1505  1
  Sc  Sc4  2  0.4492  0.2500  0.3488  1
]