data_[Gd6Mn51C9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  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 [8.5698]
_cell_length_b [8.5698]
_cell_length_c [12.3928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Gd2Mn17C3]
_chemical_formula_sum '[Gd6 Mn51 C9]'
_cell_volume [788.2100]
_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
[
  Gd  Gd0  6  0.0000  0.0000  0.3503  1
  Mn  Mn1  18  0.0000  0.2794  0.0000  1
  Mn  Mn2  18  0.0176  0.5088  0.8469  1
  Mn  Mn3  9  0.0000  0.5000  0.5000  1
  Mn  Mn4  6  0.0000  0.0000  0.0943  1
  C  C5  9  0.0000  0.5000  0.0000  1
]