data_[Sm3Ho36Tm21]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7082]
_cell_length_b [12.7082]
_cell_length_c [13.5064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SmHo12Tm7]
_chemical_formula_sum '[Sm3 Ho36 Tm21]'
_cell_volume [1889.0237]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ho  Ho1  18  0.0026  0.5656  0.2475  1
  Ho  Ho2  18  0.0686  0.8699  0.3448  1
  Tm  Tm3  18  0.0686  0.2015  0.8512  1
  Tm  Tm4  3  0.0000  0.0000  0.5000  1
]