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 [P1]
_cell_length_a [4.1861]
_cell_length_b [5.7886]
_cell_length_c [7.1653]
_cell_angle_alpha [96.8973]
_cell_angle_beta [93.6934]
_cell_angle_gamma [110.9856]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaCoN3]
_chemical_formula_sum '[La2 Co2 N6]'
_cell_volume [159.8533]
_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  1  0.2049  0.2689  0.7796  1.0
  La  La1  1  0.5083  0.9577  0.3773  1.0
  Co  Co2  1  0.7626  0.5441  0.4264  1.0
  Co  Co3  1  0.9037  0.6844  0.7365  1.0
  N  N4  1  0.5232  0.5253  0.1950  1.0
  N  N5  1  0.5925  0.3391  0.1713  1.0
  N  N6  1  0.7278  0.3414  0.6200  1.0
  N  N7  1  0.9571  0.8325  0.9594  1.0
  N  N8  1  0.9704  0.9548  0.1066  1.0
  N  N9  1  0.9866  0.8852  0.5483  1.0
]