data_[La4Re4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0286]
_cell_length_b [8.4784]
_cell_length_c [5.3954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaReC2]
_chemical_formula_sum '[La4 Re4 C8]'
_cell_volume [271.8551]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0000  0.3607  0.2500  1
  Re  Re1  4  0.0000  0.0311  0.7500  1
  C  C2  8  0.1904  0.1066  0.1727  1
]