data_[Sm6Y2Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.9287]
_cell_length_b [7.0913]
_cell_length_c [6.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3YSc4]
_chemical_formula_sum '[Sm6 Y2 Sc8]'
_cell_volume [465.7231]
_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  0.2488  0.3632  0.4911  1.0
  Sm  Sm1  2  0.0000  0.6379  0.6408  1.0
  Y  Y2  2  0.0000  0.3621  0.1373  1.0
  Sc  Sc3  4  0.2488  0.1111  0.9781  1.0
  Sc  Sc4  2  0.0000  0.1111  0.6494  1.0
  Sc  Sc5  2  0.0000  0.8866  0.1496  1.0
]