data_[La4Cr4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.6064]
_cell_length_b [5.5883]
_cell_length_c [7.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LaCrC2]
_chemical_formula_sum '[La4 Cr4 C8]'
_cell_volume [233.6725]
_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  0.0110  0.0649  0.9934  1.0
  Cr  Cr1  4  0.0578  0.4376  0.6969  1.0
  C  C2  4  0.3252  0.1925  0.7762  1.0
  C  C3  4  0.4725  0.0823  0.9304  1.0
]