data_[Sm6Er45Tm6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1229]
_cell_length_b [11.1229]
_cell_length_c [17.3769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm2Er15Tm2]
_chemical_formula_sum '[Sm6 Er45 Tm6]'
_cell_volume [1861.8387]
_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  6  0.0000  0.0000  0.3257  1
  Er  Er1  18  0.0000  0.2982  0.0000  1
  Er  Er2  18  0.0090  0.5045  0.1382  1
  Er  Er3  9  0.0000  0.5000  0.5000  1
  Tm  Tm4  6  0.0000  0.0000  0.0979  1
]