data_[Sm2Y4Sc14]
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 [C2/m]
_cell_length_a [17.1632]
_cell_length_b [4.7568]
_cell_length_c [6.7188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY2Sc7]
_chemical_formula_sum '[Sm2 Y4 Sc14]'
_cell_volume [536.7922]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.1976  0.0000  0.6026  1
  Sc  Sc2  4  0.0982  0.5000  0.3006  1
  Sc  Sc3  4  0.1007  0.5000  0.8023  1
  Sc  Sc4  4  0.1997  0.0000  0.0985  1
  Sc  Sc5  2  0.0000  0.0000  0.5000  1
]