data_[Sr12Ga2N4]
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 [C2/m]
_cell_length_a [13.2311]
_cell_length_b [5.4053]
_cell_length_c [9.4905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6GaN2]
_chemical_formula_sum '[Sr12 Ga2 N4]'
_cell_volume [592.3273]
_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  0.0203  0.0000  0.1834  1.0
  Sr  Sr1  4  0.1643  0.5000  0.6164  1.0
  Sr  Sr2  4  0.2054  0.5000  0.0749  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5000  1.0
  N  N4  4  0.1753  0.0000  0.0827  1.0
]