data_[Sr12P4N4]
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 [Cmmm]
_cell_length_a [6.9836]
_cell_length_b [14.9958]
_cell_length_c [5.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr3PN]
_chemical_formula_sum '[Sr12 P4 N4]'
_cell_volume [523.7415]
_cell_formula_units_Z [4]
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  4  0.0000  0.1440  0.0000  1.0
  Sr  Sr1  4  0.2417  0.5000  0.5000  1.0
  Sr  Sr2  4  0.2500  0.2500  0.5000  1.0
  P  P3  4  0.0000  0.3504  0.0000  1.0
  N  N4  4  0.0000  0.1165  0.5000  1.0
]