data_[Y2Er4Th12]
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 [11.6536]
_cell_length_b [7.0127]
_cell_length_c [9.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(ErTh3)2]
_chemical_formula_sum '[Y2 Er4 Th12]'
_cell_volume [608.8402]
_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  0.0000  1
  Er  Er1  4  0.2049  0.5000  0.1204  1
  Th  Th2  8  0.0752  0.2378  0.3518  1
  Th  Th3  4  0.1731  0.5000  0.7042  1
]