data_[Sm3Sc5]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4510]
_cell_length_b [5.4406]
_cell_length_c [12.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm3Sc5]
_chemical_formula_sum '[Sm3 Sc5]'
_cell_volume [225.3532]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.8057  1.0
  Sm  Sm1  1  0.5000  0.0000  0.7123  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5270  1.0
  Sc  Sc3  1  0.0000  0.0000  0.4400  1.0
  Sc  Sc4  1  0.0000  0.0000  0.9741  1.0
  Sc  Sc5  1  0.0000  0.5000  0.2812  1.0
  Sc  Sc6  1  0.5000  0.0000  0.2079  1.0
  Sc  Sc7  1  0.5000  0.5000  0.0518  1.0
]