data_[Re8C8]
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 [P2_12_12_1]
_cell_length_a [5.1318]
_cell_length_b [5.2886]
_cell_length_c [7.2118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ReC]
_chemical_formula_sum '[Re8 C8]'
_cell_volume [195.7287]
_cell_formula_units_Z [8]
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  4  0.1232  0.6063  0.4680  1
  Re  Re1  4  0.1258  0.1193  0.6850  1
  C  C2  4  0.2375  0.5062  0.7236  1
  C  C3  4  0.2452  0.9725  0.4429  1
]