data_[Cr24As12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1156]
_cell_length_b [5.2689]
_cell_length_c [11.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr2AsN]
_chemical_formula_sum '[Cr24 As12 N12]'
_cell_volume [544.0208]
_cell_formula_units_Z [12]
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  8  0.0548  0.4126  0.4051  1
  Cr  Cr1  8  0.1110  0.9174  0.0795  1
  Cr  Cr2  8  0.2216  0.0859  0.9189  1
  As  As3  8  0.1740  0.4105  0.7494  1
  As  As4  4  0.0000  0.0653  0.2500  1
  N  N5  8  0.0820  0.2525  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]