data_[Er18Tm36Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.1549]
_cell_length_b [13.1549]
_cell_length_c [12.0601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er6Tm12Th]
_chemical_formula_sum '[Er18 Tm36 Th3]'
_cell_volume [1807.4035]
_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
[
  Er  Er0  18  0.0372  0.5186  0.6270  1
  Tm  Tm1  18  0.0000  0.2565  0.5000  1
  Tm  Tm2  18  0.0897  0.1793  0.2561  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]