data_[Re42C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5560]
_cell_length_b [9.5560]
_cell_length_c [9.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Re14C]
_chemical_formula_sum '[Re42 C3]'
_cell_volume [772.0574]
_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
[
  Re  Re0  18  0.0000  0.3641  0.0000  1
  Re  Re1  18  0.1028  0.2056  0.1159  1
  Re  Re2  6  0.0000  0.0000  0.3115  1
  C  C3  3  0.0000  0.0000  0.5000  1
]