data_[La2Co2N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.5810]
_cell_length_b [5.3521]
_cell_length_c [6.9381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCoN3]
_chemical_formula_sum '[La2 Co2 N6]'
_cell_volume [132.7378]
_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  2  0.4933  0.7500  0.3002  1
  Co  Co1  2  0.0285  0.7500  0.7302  1
  N  N2  4  0.0364  0.0010  0.9148  1
  N  N3  2  0.4859  0.2500  0.3651  1
]