data_[Cr18C9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R3]
_cell_length_a [4.8840]
_cell_length_b [4.8840]
_cell_length_c [13.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cr6C3N]
_chemical_formula_sum '[Cr18 C9 N3]'
_cell_volume [283.1144]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  9  0.0054  0.3660  0.4123  1
  Cr  Cr1  9  0.0325  0.6877  0.9207  1
  C  C2  3  0.0000  0.0000  0.3517  1
  C  C3  3  0.0000  0.0000  0.6497  1
  C  C4  3  0.0000  0.0000  0.8398  1
  N  N5  3  0.0000  0.0000  0.1599  1
]