data_[Nd4Y4Tm20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5410]
_cell_length_b [21.4751]
_cell_length_c [9.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NdYTm5Sc2]
_chemical_formula_sum '[Nd4 Y4 Tm20 Sc8]'
_cell_volume [1096.8442]
_cell_formula_units_Z [4]
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  4  0.0000  0.1859  0.9835  1
  Y  Y1  4  0.0000  0.4039  0.5816  1
  Tm  Tm2  4  0.0000  0.0060  0.9761  1
  Tm  Tm3  4  0.0000  0.2643  0.6640  1
  Tm  Tm4  4  0.0000  0.3093  0.2782  1
  Tm  Tm5  4  0.0000  0.3926  0.9537  1
  Tm  Tm6  4  0.0000  0.4682  0.2505  1
  Sc  Sc7  4  0.0000  0.1128  0.6774  1
  Sc  Sc8  4  0.0000  0.1447  0.3111  1
]