# generated using pymatgen
data_LiCaAl3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24701262
_cell_length_b   10.24701262
_cell_length_c   10.24701262
_cell_angle_alpha   113.48400140
_cell_angle_beta   113.48400140
_cell_angle_gamma   101.71326698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaAl3N4
_chemical_formula_sum   'Li8 Ca8 Al24 N32'
_cell_volume   817.09555044
_cell_formula_units_Z   8
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  0.29544200  0.92584400  0.33929000  1
  Li  Li1  1  0.58655400  0.95615200  0.66071000  1
  Li  Li2  1  0.67584400  0.83655400  0.13040200  1
  Li  Li3  1  0.70615200  0.54544200  0.86959800  1
  Li  Li4  1  0.45455800  0.32415600  0.16071000  1
  Li  Li5  1  0.16344600  0.29384800  0.83929000  1
  Li  Li6  1  0.07415600  0.41344600  0.36959800  1
  Li  Li7  1  0.04384800  0.70455800  0.63040200  1
  Ca  Ca8  1  0.32800400  0.81576300  0.02203600  1
  Ca  Ca9  1  0.79372700  0.30596800  0.97796400  1
  Ca  Ca10  1  0.56576300  0.04372700  0.98775900  1
  Ca  Ca11  1  0.05596800  0.57800400  0.01224100  1
  Ca  Ca12  1  0.42199600  0.43423700  0.47796400  1
  Ca  Ca13  1  0.95627300  0.94403200  0.52203600  1
  Ca  Ca14  1  0.18423700  0.20627300  0.51224100  1
  Ca  Ca15  1  0.69403200  0.67199600  0.48775900  1
  Al  Al16  1  0.21715000  0.01347300  0.86342800  1
  Al  Al17  1  0.15004600  0.35372300  0.13657200  1
  Al  Al18  1  0.76347300  0.40004600  0.29632300  1
  Al  Al19  1  0.10372300  0.46715000  0.70367700  1
  Al  Al20  1  0.53285000  0.23652700  0.63657200  1
  Al  Al21  1  0.59995400  0.89627700  0.36342800  1
  Al  Al22  1  0.98652700  0.84995400  0.20367700  1
  Al  Al23  1  0.64627700  0.78285000  0.79632300  1
  Al  Al24  1  0.45525400  0.27427900  0.86100400  1
  Al  Al25  1  0.41327500  0.59425000  0.13899600  1
  Al  Al26  1  0.02427900  0.66327500  0.31902500  1
  Al  Al27  1  0.34425000  0.70525400  0.68097500  1
  Al  Al28  1  0.29474600  0.97572100  0.63899600  1
  Al  Al29  1  0.33672500  0.65575000  0.36100400  1
  Al  Al30  1  0.72572100  0.58672500  0.18097500  1
  Al  Al31  1  0.40575000  0.54474600  0.81902500  1
  Al  Al32  1  0.96337600  0.77695000  0.85787600  1
  Al  Al33  1  0.91907500  0.10550100  0.14212400  1
  Al  Al34  1  0.52695000  0.16907500  0.31357400  1
  Al  Al35  1  0.85550100  0.21337600  0.68642600  1
  Al  Al36  1  0.78662400  0.47305000  0.64212400  1
  Al  Al37  1  0.83092500  0.14449900  0.35787600  1
  Al  Al38  1  0.22305000  0.08092500  0.18642600  1
  Al  Al39  1  0.89449900  0.03662400  0.81357400  1
  N  N40  1  0.38357900  0.77332900  0.26957300  1
  N  N41  1  0.50375600  0.11400600  0.73042700  1
  N  N42  1  0.52332900  0.75375600  0.88975000  1
  N  N43  1  0.86400600  0.63357900  0.11025000  1
  N  N44  1  0.36642100  0.47667100  0.23042700  1
  N  N45  1  0.24624400  0.13599400  0.76957300  1
  N  N46  1  0.22667100  0.49624400  0.61025000  1
  N  N47  1  0.88599400  0.61642100  0.38975000  1
  N  N48  1  0.09099600  0.86872700  0.09173900  1
  N  N49  1  0.77698800  0.99925700  0.90826100  1
  N  N50  1  0.61872700  0.02698800  0.27773000  1
  N  N51  1  0.74925700  0.34099600  0.72227000  1
  N  N52  1  0.65900400  0.38127300  0.40826100  1
  N  N53  1  0.97301200  0.25074300  0.59173900  1
  N  N54  1  0.13127300  0.22301200  0.22227000  1
  N  N55  1  0.00074300  0.90900400  0.77773000  1
  N  N56  1  0.34985400  0.08973600  0.09140300  1
  N  N57  1  0.99833300  0.25845100  0.90859700  1
  N  N58  1  0.83973600  0.24833300  0.23988200  1
  N  N59  1  0.00845100  0.59985400  0.76011800  1
  N  N60  1  0.40014600  0.16026400  0.40859700  1
  N  N61  1  0.75166700  0.99154900  0.59140300  1
  N  N62  1  0.91026400  0.00166700  0.26011800  1
  N  N63  1  0.74154900  0.65014600  0.73988200  1
  N  N64  1  0.61076800  0.36826500  0.08434800  1
  N  N65  1  0.28391700  0.52642000  0.91565200  1
  N  N66  1  0.11826500  0.53391700  0.25749800  1
  N  N67  1  0.27642000  0.86076800  0.74250200  1
  N  N68  1  0.13923200  0.88173500  0.41565200  1
  N  N69  1  0.46608300  0.72358000  0.58434800  1
  N  N70  1  0.63173500  0.71608300  0.24250200  1
  N  N71  1  0.47358000  0.38923200  0.75749800  1
