data_[Li4Ca4Ga4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8107]
_cell_length_b [6.9526]
_cell_length_c [5.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCaGaN2]
_chemical_formula_sum '[Li4 Ca4 Ga4 N8]'
_cell_volume [239.1407]
_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
[
  Li  Li0  4  0.3677  0.6050  0.9101  1.0
  Ca  Ca1  4  0.0229  0.6271  0.2429  1.0
  Ga  Ga2  4  0.3755  0.1404  0.9217  1.0
  N  N3  4  0.2593  0.1371  0.5976  1.0
  N  N4  4  0.2783  0.6124  0.5699  1.0
]