data_[Cr16Mo8As12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  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 [9.4701]
_cell_length_b [5.4225]
_cell_length_c [11.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr4Mo2(AsN)3]
_chemical_formula_sum '[Cr16 Mo8 As12 N12]'
_cell_volume [576.1456]
_cell_formula_units_Z [4]
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  0.1085  0.1002  0.5766  1
  Cr  Cr1  8  0.2327  0.0770  0.9239  1
  Mo  Mo2  8  0.0455  0.4220  0.4041  1
  As  As3  8  0.1831  0.4027  0.7504  1
  As  As4  4  0.0000  0.0531  0.2500  1
  N  N5  8  0.0907  0.2270  0.9997  1
  N  N6  4  0.2500  0.2500  0.5000  1
]