data_[Sr2P4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3064]
_cell_length_b [6.1383]
_cell_length_c [6.6735]
_cell_angle_alpha [101.5268]
_cell_angle_beta [99.1059]
_cell_angle_gamma [104.0497]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrP2N3]
_chemical_formula_sum '[Sr2 P4 N6]'
_cell_volume [201.6666]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  2  0.2430  0.3635  0.6572  1
  P  P1  2  0.0729  0.1403  0.1547  1
  P  P2  2  0.4412  0.9485  0.7898  1
  N  N3  2  0.0256  0.1523  0.9050  1
  N  N4  2  0.1202  0.7538  0.7092  1
  N  N5  2  0.3826  0.2475  0.2850  1
]