data_[Sr12Ga2N2]
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 [7.7268]
_cell_length_b [12.0836]
_cell_length_c [7.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6GaN]
_chemical_formula_sum '[Sr12 Ga2 N2]'
_cell_volume [637.3741]
_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  8  0.1675  0.3476  0.7458  1
  Sr  Sr1  4  0.2363  0.0000  0.6776  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  N  N3  2  0.0000  0.5000  0.5000  1
]