data_[Sm2Ho12Tm6Sc4]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0257]
_cell_length_b [10.4235]
_cell_length_c [11.5397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHo6Tm3Sc2]
_chemical_formula_sum '[Sm2 Ho12 Tm6 Sc4]'
_cell_volume [713.8565]
_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  1.0
  Ho  Ho1  8  0.2491  0.3321  0.7524  1.0
  Ho  Ho2  4  0.2471  0.5000  0.2474  1.0
  Tm  Tm3  4  0.0000  0.1671  0.5000  1.0
  Tm  Tm4  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc5  4  0.0000  0.3333  0.0000  1.0
]