data_[La4Cr4C4N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5142]
_cell_length_b [3.4086]
_cell_length_c [6.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Cr2C2N]
_chemical_formula_sum '[La4 Cr4 C4 N2]'
_cell_volume [202.2582]
_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  0.0708  0.5000  0.3353  1.0
  Cr  Cr1  4  0.1977  0.0000  0.0766  1.0
  C  C2  4  0.1948  0.0000  0.7660  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]