data_[Nd6Sm2Sc4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1040]
_cell_length_b [12.2568]
_cell_length_c [7.1785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Sm(ScSe3)2]
_chemical_formula_sum '[Nd6 Sm2 Sc4 Se12]'
_cell_volume [589.7749]
_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  0.1591  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3345  0.0000  1.0
  Se  Se4  8  0.2493  0.3255  0.7687  1.0
  Se  Se5  4  0.2267  0.5000  0.2245  1.0
]