data_[Nd8Sc12Sn16]
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 [Cmce]
_cell_length_a [6.6252]
_cell_length_b [16.7489]
_cell_length_c [8.6969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd2Sc3Sn4]
_chemical_formula_sum '[Nd8 Sc12 Sn16]'
_cell_volume [965.0435]
_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  8  0.0000  0.1135  0.5878  1.0
  Sc  Sc1  8  0.2500  0.2099  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  8  0.0000  0.1870  0.9482  1.0
  Sn  Sn4  8  0.2500  0.0365  0.2500  1.0
]