data_[Nd6Sm4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1591]
_cell_length_b [5.0344]
_cell_length_c [7.9898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(SmSc)2]
_chemical_formula_sum '[Nd6 Sm4 Sc4]'
_cell_volume [444.1017]
_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  0.1449  0.5000  0.4305  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm2  4  0.0716  0.0000  0.7239  1.0
  Sc  Sc3  4  0.2168  0.0000  0.1374  1.0
]