data_[Ce2Er2Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.5378]
_cell_length_b [3.5378]
_cell_length_c [28.7217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [CeErTh3]
_chemical_formula_sum '[Ce2 Er2 Th6]'
_cell_volume [311.3167]
_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  2  0.3333  0.6667  0.7238  1
  Er  Er1  2  0.0000  0.0000  0.0274  1
  Th  Th2  2  0.0000  0.0000  0.3228  1
  Th  Th3  2  0.3333  0.6667  0.1269  1
  Th  Th4  2  0.3333  0.6667  0.4240  1
]