data_[Er6Tm45Th6]
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 [10.9662]
_cell_length_b [10.9662]
_cell_length_c [17.6109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Tm15Th2]
_chemical_formula_sum '[Er6 Tm45 Th6]'
_cell_volume [1834.1169]
_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  6  0.0000  0.0000  0.3161  1
  Tm  Tm1  18  0.0000  0.3024  0.0000  1
  Tm  Tm2  18  0.0071  0.5036  0.1374  1
  Tm  Tm3  9  0.0000  0.5000  0.5000  1
  Th  Th4  6  0.0000  0.0000  0.0903  1
]