data_[Nd6Sc1Sn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [9.3717]
_cell_length_b [9.3717]
_cell_length_c [6.3713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Nd6ScSn10]
_chemical_formula_sum '[Nd6 Sc1 Sn10]'
_cell_volume [484.6059]
_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  6  0.0000  0.3909  0.2627  1
  Sc  Sc1  1  0.0000  0.0000  0.5000  1
  Sn  Sn2  6  0.0000  0.2384  0.8076  1
  Sn  Sn3  2  0.3333  0.6667  0.5000  1
  Sn  Sn4  2  0.3333  0.6667  0.0000  1
]