data_[Ce4Nd6Er12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  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 [6.1601]
_cell_length_b [10.6692]
_cell_length_c [11.6661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd3Er6Th]
_chemical_formula_sum '[Ce4 Nd6 Er12 Th2]'
_cell_volume [754.7210]
_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
[
  Ce  Ce0  4  0.0000  0.3332  0.0000  1
  Nd  Nd1  4  0.0000  0.1667  0.5000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.2475  0.1659  0.2439  1
  Er  Er4  4  0.2497  0.5000  0.2438  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]