data_[La4Re4C6]
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/m]
_cell_length_a [12.3337]
_cell_length_b [3.4452]
_cell_length_c [5.9735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2957]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Re2C3]
_chemical_formula_sum '[La4 Re4 C6]'
_cell_volume [223.4936]
_cell_formula_units_Z [2]
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  0.1039  0.5000  0.8033  1.0
  Re  Re1  4  0.1620  0.0000  0.3183  1.0
  C  C2  4  0.2461  0.5000  0.2763  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]