data_[La6Fe2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6847]
_cell_length_b [3.7988]
_cell_length_c [4.4130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3FeC4]
_chemical_formula_sum '[La6 Fe2 C8]'
_cell_volume [276.5302]
_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  0.1753  0.0000  0.2143  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.0000  0.5000  0.0000  1.0
  C  C3  4  0.0962  0.5000  0.8405  1.0
  C  C4  4  0.1662  0.5000  0.7259  1.0
]