data_[Nd10Sc2Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7401]
_cell_length_b [13.4199]
_cell_length_c [7.7488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5ScSb6]
_chemical_formula_sum '[Nd10 Sc2 Sb12]'
_cell_volume [758.2965]
_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  4  0.0000  0.1712  0.5000  1
  Nd  Nd1  4  0.0000  0.3349  0.0000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
  Sb  Sb4  8  0.2403  0.1607  0.2407  1
  Sb  Sb5  4  0.2385  0.0000  0.7545  1
]