data_[Y2Er8Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0122]
_cell_length_b [10.0521]
_cell_length_c [10.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [YEr4Th3]
_chemical_formula_sum '[Y2 Er8 Th6]'
_cell_volume [505.6941]
_cell_formula_units_Z [2]
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
[
  Y  Y0  2  0.0000  0.0000  0.6249  1
  Er  Er1  4  0.0000  0.2513  0.8750  1
  Er  Er2  2  0.0000  0.0000  0.1277  1
  Er  Er3  2  0.0000  0.5000  0.1239  1
  Th  Th4  4  0.0000  0.2472  0.3753  1
  Th  Th5  2  0.0000  0.5000  0.6263  1
]