data_[Sr1La2P2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  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 [5.4745]
_cell_length_b [6.0412]
_cell_length_c [6.5620]
_cell_angle_alpha [111.9905]
_cell_angle_beta [96.5206]
_cell_angle_gamma [115.1567]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrLa2(PN3)2]
_chemical_formula_sum '[Sr1 La2 P2 N6]'
_cell_volume [172.2617]
_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
[
  Sr  Sr0  1  0.5000  0.0000  0.5000  1.0
  La  La1  2  0.2495  0.5773  0.8281  1.0
  P  P2  2  0.1660  0.2284  0.2351  1.0
  N  N3  2  0.0226  0.7821  0.6011  1.0
  N  N4  2  0.2928  0.0290  0.1482  1.0
  N  N5  2  0.2931  0.4873  0.1806  1.0
]