data_[Sm2Ho8Sc6]
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 [Pmn2_1]
_cell_length_a [10.9311]
_cell_length_b [7.0544]
_cell_length_c [6.0824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SmHo4Sc3]
_chemical_formula_sum '[Sm2 Ho8 Sc6]'
_cell_volume [469.0268]
_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  0.3813  0.9791  1.0
  Ho  Ho1  4  0.2457  0.8692  0.6438  1.0
  Ho  Ho2  2  0.0000  0.1301  0.4827  1.0
  Ho  Ho3  2  0.0000  0.8691  0.9890  1.0
  Sc  Sc4  4  0.2490  0.3799  0.6494  1.0
  Sc  Sc5  2  0.0000  0.6215  0.4781  1.0
]