data_[Ce1Co3N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.2448]
_cell_length_b [4.8517]
_cell_length_c [19.3573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.2657]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CeCo3N4]
_chemical_formula_sum '[Ce1 Co3 N4]'
_cell_volume [303.4513]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.4029  0.9828  0.4727  1
  Co  Co1  1  0.8228  0.6172  0.3923  1
  Co  Co2  1  0.8597  0.7142  0.5841  1
  Co  Co3  1  0.9347  0.1893  0.5920  1
  N  N4  1  0.3270  0.6423  0.3692  1
  N  N5  1  0.4017  0.9541  0.5943  1
  N  N6  1  0.8596  0.5712  0.4905  1
  N  N7  1  0.9760  0.3287  0.5048  1
]