data_[La4Cu4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7273]
_cell_length_b [3.7503]
_cell_length_c [5.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Cu2C3]
_chemical_formula_sum '[La4 Cu4 C6]'
_cell_volume [211.3719]
_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  0.1129  0.5000  0.8051  1
  Cu  Cu1  4  0.1445  0.0000  0.3143  1
  C  C2  4  0.2361  0.5000  0.3094  1
  C  C3  2  0.0000  0.0000  0.0000  1
]