data_[Y6Er8Th10]
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 [C2/m]
_cell_length_a [12.7142]
_cell_length_b [5.9360]
_cell_length_c [10.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Er4Th5]
_chemical_formula_sum '[Y6 Er8 Th10]'
_cell_volume [784.8110]
_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  4  0.1502  0.5000  0.7802  1
  Y  Y1  2  0.0000  0.0000  0.5000  1
  Er  Er2  4  0.0969  0.0000  0.2579  1
  Er  Er3  4  0.2499  0.0000  0.5959  1
  Th  Th4  4  0.1069  0.5000  0.1005  1
  Th  Th5  4  0.1407  0.0000  0.9417  1
  Th  Th6  2  0.0000  0.5000  0.5000  1
]