data_[Mg6Ga6N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6812]
_cell_length_b [6.7321]
_cell_length_c [8.2718]
_cell_angle_alpha [108.4936]
_cell_angle_beta [104.4333]
_cell_angle_gamma [94.9043]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3Ga3N5]
_chemical_formula_sum '[Mg6 Ga6 N10]'
_cell_volume [285.8608]
_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
[
  Mg  Mg0  2  0.1455  0.5778  0.3883  1
  Mg  Mg1  2  0.2796  0.1152  0.0510  1
  Mg  Mg2  2  0.4116  0.4839  0.7533  1
  Ga  Ga3  2  0.1299  0.6883  0.0312  1
  Ga  Ga4  2  0.1415  0.8551  0.7028  1
  Ga  Ga5  2  0.3072  0.0775  0.4214  1
  N  N6  2  0.0694  0.9611  0.1790  1
  N  N7  2  0.1645  0.3356  0.5051  1
  N  N8  2  0.2117  0.4716  0.1387  1
  N  N9  2  0.3322  0.7707  0.8949  1
  N  N10  2  0.3436  0.8844  0.5570  1
]