data_[Li3In3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3557]
_cell_length_b [7.5344]
_cell_length_c [18.9001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3In3N2]
_chemical_formula_sum '[Li3 In3 N2]'
_cell_volume [477.8615]
_cell_formula_units_Z [1]
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  2  0.0483  0.1386  0.5755  1
  Li  Li1  1  0.0314  0.5000  0.5275  1
  In  In2  2  0.5440  0.2045  0.4562  1
  In  In3  1  0.0431  0.5000  0.3692  1
  N  N4  1  0.5315  0.5000  0.4872  1
  N  N5  1  0.5480  0.0000  0.5526  1
]