data_[La4Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [3.8569]
_cell_length_b [3.8569]
_cell_length_c [14.5178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [LaCoC2]
_chemical_formula_sum '[La4 Co4 C8]'
_cell_volume [215.9664]
_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  0.1450  0.8542  0.6249  1.0
  Co  Co1  4  0.3490  0.3610  0.4711  1.0
  C  C2  4  0.1489  0.6454  0.0109  1.0
  C  C3  4  0.3442  0.3598  0.3367  1.0
]