data_[Ba4Li4Ga4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  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 [11.0290]
_cell_length_b [3.5171]
_cell_length_c [7.7522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiGaN2]
_chemical_formula_sum '[Ba4 Li4 Ga4 N8]'
_cell_volume [296.6642]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.1568  0.5000  0.6650  1.0
  Li  Li1  4  0.1837  0.5000  0.0466  1.0
  Ga  Ga2  4  0.0544  0.0000  0.1661  1.0
  N  N3  4  0.1192  0.5000  0.2921  1.0
  N  N4  4  0.1227  0.0000  0.9299  1.0
]