# generated using pymatgen
data_Li18Fe5N12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52552200
_cell_length_b   6.74113400
_cell_length_c   10.58327699
_cell_angle_alpha   72.20329266
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li18Fe5N12
_chemical_formula_sum   'Li36 Fe10 N24'
_cell_volume   647.06199426
_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  0.00635000  0.66281400  0.41390300  1
  Li  Li1  1  0.50909400  0.16318100  0.41385600  1
  Li  Li2  1  0.74731500  0.16583600  0.41311500  1
  Li  Li3  1  0.98727400  0.16812300  0.41843700  1
  Li  Li4  1  0.00285600  0.50000000  0.25000000  1
  Li  Li5  1  0.24771700  0.71896400  0.39177800  1
  Li  Li6  1  0.49057800  0.67125500  0.42176200  1
  Li  Li7  1  0.46098000  0.00000000  0.25000000  1
  Li  Li8  1  0.74839300  0.00000000  0.25000000  1
  Li  Li9  1  0.03288500  0.00000000  0.25000000  1
  Li  Li10  1  0.00635000  0.33718600  0.08609700  1
  Li  Li11  1  0.24352100  0.50000000  0.25000000  1
  Li  Li12  1  0.48843400  0.50000000  0.25000000  1
  Li  Li13  1  0.50909400  0.83681900  0.08614400  1
  Li  Li14  1  0.74731500  0.83416400  0.08688500  1
  Li  Li15  1  0.98727400  0.83187700  0.08156300  1
  Li  Li16  1  0.01272600  0.16812300  0.91843700  1
  Li  Li17  1  0.24771700  0.28103600  0.10822200  1
  Li  Li18  1  0.49057800  0.32874500  0.07823800  1
  Li  Li19  1  0.50942200  0.67125500  0.92176200  1
  Li  Li20  1  0.75228300  0.71896400  0.89177800  1
  Li  Li21  1  0.99365000  0.66281400  0.91390300  1
  Li  Li22  1  0.96711500  0.00000000  0.75000000  1
  Li  Li23  1  0.25268500  0.16583600  0.91311500  1
  Li  Li24  1  0.49090600  0.16318100  0.91385600  1
  Li  Li25  1  0.51156600  0.50000000  0.75000000  1
  Li  Li26  1  0.75647900  0.50000000  0.75000000  1
  Li  Li27  1  0.99714400  0.50000000  0.75000000  1
  Li  Li28  1  0.01272600  0.83187700  0.58156300  1
  Li  Li29  1  0.25160700  0.00000000  0.75000000  1
  Li  Li30  1  0.53902000  0.00000000  0.75000000  1
  Li  Li31  1  0.50942200  0.32874500  0.57823800  1
  Li  Li32  1  0.75228300  0.28103600  0.60822200  1
  Li  Li33  1  0.99365000  0.33718600  0.58609700  1
  Li  Li34  1  0.25268500  0.83416400  0.58688500  1
  Li  Li35  1  0.49090600  0.83681900  0.58614400  1
  Fe  Fe36  1  0.24840500  0.16080100  0.41030800  1
  Fe  Fe37  1  0.74868400  0.65324900  0.42227500  1
  Fe  Fe38  1  0.24840500  0.83919900  0.08969200  1
  Fe  Fe39  1  0.74715100  0.50000000  0.25000000  1
  Fe  Fe40  1  0.25131600  0.65324900  0.92227500  1
  Fe  Fe41  1  0.74868400  0.34675100  0.07772500  1
  Fe  Fe42  1  0.25284900  0.50000000  0.75000000  1
  Fe  Fe43  1  0.75159500  0.16080100  0.91030800  1
  Fe  Fe44  1  0.25131600  0.34675100  0.57772500  1
  Fe  Fe45  1  0.75159500  0.83919900  0.58969200  1
  N  N46  1  0.85992900  0.43213000  0.40984800  1
  N  N47  1  0.12851900  0.75386200  0.22980700  1
  N  N48  1  0.36642000  0.94222200  0.42393800  1
  N  N49  1  0.63515200  0.27389000  0.23320800  1
  N  N50  1  0.85954600  0.88779900  0.43114600  1
  N  N51  1  0.12851900  0.24613800  0.27019300  1
  N  N52  1  0.36105300  0.39410700  0.42339500  1
  N  N53  1  0.63515200  0.72611000  0.26679200  1
  N  N54  1  0.85954600  0.11220100  0.06885400  1
  N  N55  1  0.14007100  0.43213000  0.90984800  1
  N  N56  1  0.36105300  0.60589300  0.07660500  1
  N  N57  1  0.63358000  0.94222200  0.92393800  1
  N  N58  1  0.85992900  0.56787000  0.09015200  1
  N  N59  1  0.14045400  0.88779900  0.93114600  1
  N  N60  1  0.36642000  0.05777800  0.07606200  1
  N  N61  1  0.63894700  0.39410700  0.92339500  1
  N  N62  1  0.87148100  0.75386200  0.72980700  1
  N  N63  1  0.14045400  0.11220100  0.56885400  1
  N  N64  1  0.36484800  0.27389000  0.73320800  1
  N  N65  1  0.63894700  0.60589300  0.57660500  1
  N  N66  1  0.87148100  0.24613800  0.77019300  1
  N  N67  1  0.14007100  0.56787000  0.59015200  1
  N  N68  1  0.36484800  0.72611000  0.76679200  1
  N  N69  1  0.63358000  0.05777800  0.57606200  1
