data_[Sm20Y12Tm4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3469]
_cell_length_b [6.7542]
_cell_length_c [11.5811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Y3Tm]
_chemical_formula_sum '[Sm20 Y12 Tm4]'
_cell_volume [1200.5943]
_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  8  0.1098  0.4985  0.0487  1
  Sm  Sm1  8  0.1717  0.0921  0.8494  1
  Sm  Sm2  4  0.0000  0.3153  0.7500  1
  Y  Y3  8  0.2387  0.4002  0.3692  1
  Y  Y4  4  0.0000  0.0000  0.0000  1
  Tm  Tm5  4  0.0000  0.2356  0.2500  1
]