data_[La16Er6Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5683]
_cell_length_b [21.0048]
_cell_length_c [5.8395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La8Er3Th2]
_chemical_formula_sum '[La16 Er6 Th4]'
_cell_volume [928.3070]
_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
[
  La  La0  8  0.2013  0.3950  0.5000  1
  La  La1  4  0.0000  0.1337  0.0000  1
  La  La2  4  0.0000  0.3243  0.0000  1
  Er  Er3  4  0.2247  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
  Th  Th5  4  0.0000  0.2426  0.5000  1
]