data_[Cr3P2N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2011]
_cell_length_b [20.8771]
_cell_length_c [3.6822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr3P2N3]
_chemical_formula_sum '[Cr3 P2 N3]'
_cell_volume [244.2022]
_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  0.9809  0.0607  0.0649  1
  Cr  Cr1  1  0.4046  0.0000  0.5975  1
  P  P2  2  0.4209  0.1408  0.8586  1
  N  N3  2  0.1583  0.0849  0.5789  1
  N  N4  1  0.5076  0.0000  0.1061  1
]