data_[Dy3Mn36C18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2745]
_cell_length_b [9.2745]
_cell_length_c [7.5523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Dy(Mn2C)6]
_chemical_formula_sum '[Dy3 Mn36 C18]'
_cell_volume [562.5861]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  18  0.0000  0.3667  0.5000  1.0
  Mn  Mn2  18  0.0904  0.1808  0.3701  1.0
  C  C3  18  0.0379  0.5189  0.2909  1.0
]