data_[Sm14Sc2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7893]
_cell_length_b [5.7238]
_cell_length_c [10.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm7ScIn4]
_chemical_formula_sum '[Sm14 Sc2 In8]'
_cell_volume [733.2306]
_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
[
  Sm  Sm0  4  0.0654  0.0000  0.3974  1
  Sm  Sm1  4  0.2044  0.0000  0.8820  1
  Sm  Sm2  4  0.2324  0.5000  0.6789  1
  Sm  Sm3  2  0.0000  0.5000  0.0000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
  In  In5  4  0.0543  0.5000  0.7401  1
  In  In6  4  0.1801  0.5000  0.3372  1
]