# generated using pymatgen
data_Li6MoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62185174
_cell_length_b   6.62185174
_cell_length_c   4.87099777
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MoN4
_chemical_formula_sum   'Li12 Mo2 N8'
_cell_volume   213.58799381
_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
  Li  Li0  1  0.28639796  0.28639796  0.00000000  1
  Li  Li1  1  0.78639796  0.21360204  0.50000000  1
  Li  Li2  1  0.21360204  0.78639796  0.50000000  1
  Li  Li3  1  0.71360204  0.71360204  0.00000000  1
  Li  Li4  1  0.21360204  0.21360204  0.50000000  1
  Li  Li5  1  0.71360204  0.28639796  0.00000000  1
  Li  Li6  1  0.28639796  0.71360204  0.00000000  1
  Li  Li7  1  0.78639796  0.78639796  0.50000000  1
  Li  Li8  1  0.50000000  0.00000000  0.42060275  1
  Li  Li9  1  0.50000000  0.00000000  0.92060275  1
  Li  Li10  1  0.00000000  0.50000000  0.57939725  1
  Li  Li11  1  0.00000000  0.50000000  0.07939725  1
  Mo  Mo12  1  0.00000000  0.00000000  0.00000000  1
  Mo  Mo13  1  0.50000000  0.50000000  0.50000000  1
  N  N14  1  0.50000000  0.25807271  0.69860557  1
  N  N15  1  0.50000000  0.74192729  0.69860557  1
  N  N16  1  0.24192729  0.00000000  0.19860557  1
  N  N17  1  0.75807271  0.00000000  0.19860557  1
  N  N18  1  0.25807271  0.50000000  0.30139443  1
  N  N19  1  0.00000000  0.24192729  0.80139443  1
  N  N20  1  0.00000000  0.75807271  0.80139443  1
  N  N21  1  0.74192729  0.50000000  0.30139443  1
