data_[Sm3Er36Tm18]
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 [14.8185]
_cell_length_b [14.8185]
_cell_length_c [10.0269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm(Er2Tm)6]
_chemical_formula_sum '[Sm3 Er36 Tm18]'
_cell_volume [1906.8065]
_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
  Er  Er1  18  0.0000  0.3886  0.5000  1
  Er  Er2  18  0.0740  0.1479  0.2873  1
  Tm  Tm3  18  0.0557  0.5279  0.2163  1
]