data_[Nd7Tm4Sc1]
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 [6.2468]
_cell_length_b [7.2280]
_cell_length_c [8.9165]
_cell_angle_alpha [89.9348]
_cell_angle_beta [76.2610]
_cell_angle_gamma [89.9499]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd7Tm4Sc]
_chemical_formula_sum '[Nd7 Tm4 Sc1]'
_cell_volume [391.0758]
_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  0.2269  0.5008  0.3361  1
  Nd  Nd1  2  0.2789  0.7553  0.6664  1
  Nd  Nd2  2  0.4976  0.2426  0.9984  1
  Nd  Nd3  1  0.0000  0.5000  0.0000  1
  Tm  Tm4  2  0.2157  0.0002  0.3337  1
  Tm  Tm5  2  0.2744  0.2408  0.6695  1
  Sc  Sc6  1  0.0000  0.0000  0.0000  1
]