data_[Sm8Y2Sc6]
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 [11.1219]
_cell_length_b [7.1164]
_cell_length_c [6.1206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm4YSc3]
_chemical_formula_sum '[Sm8 Y2 Sc6]'
_cell_volume [484.4323]
_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  0.2404  0.8668  0.4842  1.0
  Sm  Sm1  2  0.0000  0.1368  0.6523  1.0
  Sm  Sm2  2  0.0000  0.8672  0.1267  1.0
  Y  Y3  2  0.0000  0.3821  0.1557  1.0
  Sc  Sc4  4  0.2494  0.3847  0.4805  1.0
  Sc  Sc5  2  0.0000  0.6121  0.6510  1.0
]