data_[La6Er8Th4]
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 [P-1]
_cell_length_a [7.1710]
_cell_length_b [8.8063]
_cell_length_c [9.8276]
_cell_angle_alpha [103.1191]
_cell_angle_beta [90.0630]
_cell_angle_gamma [90.3018]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3(Er2Th)2]
_chemical_formula_sum '[La6 Er8 Th4]'
_cell_volume [604.4025]
_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  2  0.2367  0.4954  0.4946  1
  La  La1  2  0.2389  0.1891  0.9654  1
  La  La2  2  0.4997  0.1451  0.2811  1
  Er  Er3  2  0.0017  0.8547  0.7128  1
  Er  Er4  2  0.2440  0.8308  0.3823  1
  Er  Er5  2  0.2487  0.7989  0.0351  1
  Er  Er6  2  0.4971  0.4707  0.8207  1
  Th  Th7  2  0.0051  0.4804  0.8232  1
  Th  Th8  2  0.2468  0.1630  0.6122  1
]