data_[Sm4Y20Tm8Sc4]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5362]
_cell_length_b [19.9369]
_cell_length_c [10.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmY5Tm2Sc]
_chemical_formula_sum '[Sm4 Y20 Tm8 Sc4]'
_cell_volume [1142.6425]
_cell_formula_units_Z [4]
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  0.4100  0.4481  1
  Y  Y1  4  0.0000  0.0168  0.0173  1
  Y  Y2  4  0.0000  0.2727  0.3295  1
  Y  Y3  4  0.0000  0.2995  0.7033  1
  Y  Y4  4  0.0000  0.3733  0.0219  1
  Y  Y5  4  0.0000  0.4806  0.7379  1
  Tm  Tm6  4  0.0000  0.1104  0.3124  1
  Tm  Tm7  4  0.0000  0.1148  0.7366  1
  Sc  Sc8  4  0.0000  0.1921  0.0171  1
]