data_[La6Re4C20]
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 [7.8702]
_cell_length_b [9.3911]
_cell_length_c [6.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(ReC5)2]
_chemical_formula_sum '[La6 Re4 C20]'
_cell_volume [424.8649]
_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  0.0000  0.1961  0.0000  1
  La  La1  2  0.0000  0.0000  0.5000  1
  Re  Re2  4  0.0051  0.5000  0.3026  1
  C  C3  8  0.0098  0.2743  0.6037  1
  C  C4  4  0.1424  0.5000  0.1192  1
  C  C5  4  0.2281  0.0000  0.9509  1
  C  C6  4  0.2315  0.5000  0.6154  1
]