data_[Ta8Ga2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [6.7170]
_cell_length_b [4.9073]
_cell_length_c [6.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Ta4GaN]
_chemical_formula_sum '[Ta8 Ga2 N2]'
_cell_volume [206.2129]
_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
[
  Ta  Ta0  4  0.1338  0.7492  0.8646  1
  Ta  Ta1  4  0.2410  0.2206  0.6271  1
  Ga  Ga2  2  0.5000  0.0000  0.8995  1
  N  N3  2  0.0000  0.0000  0.1170  1
]