data_[Sr16P4N6]
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 [C2/m]
_cell_length_a [14.9192]
_cell_length_b [7.8510]
_cell_length_c [6.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8P2N3]
_chemical_formula_sum '[Sr16 P4 N6]'
_cell_volume [752.1845]
_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  8  0.1068  0.2286  0.3982  1.0
  Sr  Sr1  4  0.0967  0.0000  0.9048  1.0
  Sr  Sr2  4  0.1048  0.5000  0.9400  1.0
  P  P3  4  0.2370  0.5000  0.6775  1.0
  N  N4  4  0.0000  0.2562  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]