data_[Er8Tm3Th1]
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 [6.0915]
_cell_length_b [7.0099]
_cell_length_c [9.2769]
_cell_angle_alpha [79.1141]
_cell_angle_beta [77.2461]
_cell_angle_gamma [73.2963]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er8Tm3Th]
_chemical_formula_sum '[Er8 Tm3 Th1]'
_cell_volume [366.7022]
_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  0.0006  0.6681  0.3329  1
  Er  Er1  2  0.0017  0.8344  0.6678  1
  Er  Er2  2  0.4966  0.6691  0.8336  1
  Er  Er3  2  0.4998  0.1648  0.8337  1
  Tm  Tm4  1  0.0000  0.5000  0.0000  1
  Tm  Tm5  1  0.5000  0.0000  0.5000  1
  Tm  Tm6  1  0.5000  0.5000  0.5000  1
  Th  Th7  1  0.0000  0.0000  0.0000  1
]