data_[Sm4Ho12Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9703]
_cell_length_b [10.3579]
_cell_length_c [11.3496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2(Ho2Sc)3]
_chemical_formula_sum '[Sm4 Ho12 Sc6]'
_cell_volume [690.7876]
_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  0.0000  0.1665  0.5000  1
  Ho  Ho1  8  0.2467  0.1669  0.2396  1
  Ho  Ho2  4  0.2474  0.5000  0.2401  1
  Sc  Sc3  4  0.0000  0.3347  0.0000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]