data_[Be16Ga2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [5.1573]
_cell_length_b [5.1573]
_cell_length_c [9.8026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [Be8GaN6]
_chemical_formula_sum '[Be16 Ga2 N12]'
_cell_volume [225.7962]
_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
[
  Be  Be0  6  0.0000  0.3078  0.2746  1
  Be  Be1  6  0.0000  0.4119  0.6145  1
  Be  Be2  4  0.3333  0.6667  0.4154  1
  Ga  Ga3  2  0.0000  0.0000  0.4949  1
  N  N4  6  0.0000  0.3613  0.4455  1
  N  N5  4  0.3333  0.6667  0.2038  1
  N  N6  2  0.0000  0.0000  0.2087  1
]