data_[La1Er7Th3]
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 [P3m1]
_cell_length_a [7.0434]
_cell_length_b [7.0434]
_cell_length_c [8.5525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaEr7Th3]
_chemical_formula_sum '[La1 Er7 Th3]'
_cell_volume [367.4420]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4550  1
  Er  Er1  3  0.1668  0.8332  0.1125  1
  Er  Er2  3  0.3363  0.1682  0.4515  1
  Er  Er3  1  0.6667  0.3333  0.1141  1
  Th  Th4  3  0.5010  0.0020  0.7847  1
]