data_[Sr2Al2Si2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7482]
_cell_length_b [5.1975]
_cell_length_c [5.7549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SrAlSiN3]
_chemical_formula_sum '[Sr2 Al2 Si2 N6]'
_cell_volume [149.7783]
_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  0.3128  0.5089  0.3114  1.0
  Al  Al1  2  0.0253  0.5273  0.6737  1.0
  Si  Si2  2  0.3304  0.0224  0.9729  1.0
  N  N3  2  0.1184  0.8760  0.6652  1.0
  N  N4  2  0.2191  0.0101  0.2017  1.0
  N  N5  2  0.3606  0.3534  0.8970  1.0
]