data_[Cr4As3N1]
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 [Pm]
_cell_length_a [6.0808]
_cell_length_b [2.8892]
_cell_length_c [6.1291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr4As3N]
_chemical_formula_sum '[Cr4 As3 N1]'
_cell_volume [106.9762]
_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
[
  Cr  Cr0  1  0.1793  0.5000  0.0511  1
  Cr  Cr1  1  0.2078  0.5000  0.4730  1
  Cr  Cr2  1  0.7980  0.0000  0.0185  1
  Cr  Cr3  1  0.8523  0.0000  0.4243  1
  As  As4  1  0.4051  0.0000  0.7930  1
  As  As5  1  0.5613  0.5000  0.2581  1
  As  As6  1  0.9086  0.5000  0.7331  1
  N  N7  1  0.0876  0.0000  0.2489  1
]