data_[Cr3As3N1]
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 [Pmm2]
_cell_length_a [2.7608]
_cell_length_b [6.8517]
_cell_length_c [18.5619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cr3As3N]
_chemical_formula_sum '[Cr3 As3 N1]'
_cell_volume [351.1204]
_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  2  0.5000  0.3117  0.4684  1
  Cr  Cr1  1  0.0000  0.0000  0.5162  1
  As  As2  2  0.5000  0.2288  0.5934  1
  As  As3  1  0.5000  0.0000  0.4015  1
  N  N4  1  0.0000  0.5000  0.4587  1
]