data_[Ho3Mn36C18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [9.2708]
_cell_length_b [9.2708]
_cell_length_c [7.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho(Mn2C)6]
_chemical_formula_sum '[Ho3 Mn36 C18]'
_cell_volume [561.7947]
_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
[
  Ho  Ho0  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  18  0.0000  0.3668  0.5000  1.0
  Mn  Mn2  18  0.0903  0.9097  0.3698  1.0
  C  C3  18  0.0376  0.5188  0.2907  1.0
]