data_[Sr6Ga2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.8247]
_cell_length_b [3.6432]
_cell_length_c [11.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr3GaN3]
_chemical_formula_sum '[Sr6 Ga2 N6]'
_cell_volume [822.3737]
_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  4  0.1217  0.0000  0.4666  1
  Sr  Sr1  2  0.0000  0.0000  0.7064  1
  Ga  Ga2  2  0.0000  0.0000  0.9854  1
  N  N3  4  0.0813  0.0000  0.0818  1
  N  N4  2  0.0000  0.0000  0.3878  1
]