data_[Mg4Nb2Ga2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6916]
_cell_length_b [5.8871]
_cell_length_c [5.2882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mg2NbGaN4]
_chemical_formula_sum '[Mg4 Nb2 Ga2 N8]'
_cell_volume [208.3255]
_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  4  0.2499  0.6675  0.9914  1.0
  Nb  Nb1  2  0.0000  0.1608  0.9963  1.0
  Ga  Ga2  2  0.0000  0.8328  0.4967  1.0
  N  N3  4  0.2493  0.3211  0.8940  1.0
  N  N4  2  0.0000  0.1484  0.3660  1.0
  N  N5  2  0.0000  0.8488  0.8701  1.0
]