data_[Ce6Th3Mn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2866]
_cell_length_b [4.2866]
_cell_length_c [18.8214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce2ThMn]
_chemical_formula_sum '[Ce6 Th3 Mn3]'
_cell_volume [299.5035]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0466  1
  Ce  Ce1  3  0.0000  0.0000  0.2747  1
  Th  Th2  3  0.0000  0.0000  0.4907  1
  Mn  Mn3  3  0.0000  0.0000  0.6880  1
]