data_[Nd2Tm6Sc8]
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 [Pmn2_1]
_cell_length_a [10.7725]
_cell_length_b [6.9385]
_cell_length_c [5.9812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NdTm3Sc4]
_chemical_formula_sum '[Nd2 Tm6 Sc8]'
_cell_volume [447.0681]
_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  0.0000  0.3664  0.1433  1
  Tm  Tm1  4  0.2493  0.6341  0.9862  1
  Tm  Tm2  2  0.0000  0.6334  0.6411  1
  Sc  Sc3  4  0.2473  0.8830  0.4789  1
  Sc  Sc4  2  0.0000  0.1158  0.6506  1
  Sc  Sc5  2  0.0000  0.8830  0.1501  1
]