data_[Er5Tm12Th2]
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 [P-1]
_cell_length_a [6.0168]
_cell_length_b [9.4573]
_cell_length_c [11.1684]
_cell_angle_alpha [70.0320]
_cell_angle_beta [81.7039]
_cell_angle_gamma [88.7227]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er5(Tm6Th)2]
_chemical_formula_sum '[Er5 Tm12 Th2]'
_cell_volume [590.8091]
_cell_formula_units_Z [1]
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  2  0.1073  0.4545  0.8405  1
  Er  Er1  2  0.4858  0.0547  0.3308  1
  Er  Er2  1  0.0000  0.5000  0.5000  1
  Tm  Tm3  2  0.0349  0.1911  0.1527  1
  Tm  Tm4  2  0.0844  0.8100  0.5483  1
  Tm  Tm5  2  0.1734  0.8211  0.2275  1
  Tm  Tm6  2  0.3781  0.4133  0.2854  1
  Tm  Tm7  2  0.4221  0.3140  0.6001  1
  Tm  Tm8  2  0.4310  0.6872  0.9857  1
  Th  Th9  2  0.2767  0.0681  0.9182  1
]