data_[Y12Re5C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [10.5300]
_cell_length_b [10.5300]
_cell_length_c [5.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Y12Re5C6]
_chemical_formula_sum '[Y12 Re5 C6]'
_cell_volume [482.7649]
_cell_formula_units_Z [1]
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
[
  Y  Y0  6  0.1986  0.7552  0.0000  1
  Y  Y1  3  0.0000  0.4368  0.5000  1
  Y  Y2  3  0.0000  0.8023  0.5000  1
  Re  Re3  3  0.0000  0.1346  0.0000  1
  Re  Re4  2  0.3333  0.6667  0.5000  1
  C  C5  6  0.1889  0.7291  0.5000  1
]