# generated using pymatgen
data_Li6Ca12Re4N16O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.35528353
_cell_length_b   11.35528353
_cell_length_c   11.35528353
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ca12Re4N16O3
_chemical_formula_sum   'Li12 Ca24 Re8 N32 O6'
_cell_volume   1127.12493194
_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  0.27627200  0.02627200  0.25000000  1
  Li  Li1  1  0.97372800  0.72372800  0.25000000  1
  Li  Li2  1  0.75000000  0.52627200  0.77627200  1
  Li  Li3  1  0.77627200  0.75000000  0.52627200  1
  Li  Li4  1  0.25000000  0.97372800  0.72372800  1
  Li  Li5  1  0.72372800  0.25000000  0.97372800  1
  Li  Li6  1  0.22372800  0.47372800  0.75000000  1
  Li  Li7  1  0.47372800  0.75000000  0.22372800  1
  Li  Li8  1  0.02627200  0.25000000  0.27627200  1
  Li  Li9  1  0.25000000  0.27627200  0.02627200  1
  Li  Li10  1  0.75000000  0.22372800  0.47372800  1
  Li  Li11  1  0.52627200  0.77627200  0.75000000  1
  Ca  Ca12  1  0.03797000  0.09522600  0.70824300  1
  Ca  Ca13  1  0.05725700  0.46203000  0.17027300  1
  Ca  Ca14  1  0.79175700  0.88698300  0.32972700  1
  Ca  Ca15  1  0.61301700  0.40477400  0.44274300  1
  Ca  Ca16  1  0.40477400  0.44274300  0.61301700  1
  Ca  Ca17  1  0.09522600  0.70824300  0.03797000  1
  Ca  Ca18  1  0.46203000  0.17027300  0.05725700  1
  Ca  Ca19  1  0.32972700  0.79175700  0.88698300  1
  Ca  Ca20  1  0.70824300  0.03797000  0.09522600  1
  Ca  Ca21  1  0.17027300  0.05725700  0.46203000  1
  Ca  Ca22  1  0.88698300  0.32972700  0.79175700  1
  Ca  Ca23  1  0.96203000  0.55725700  0.67027300  1
  Ca  Ca24  1  0.38698300  0.29175700  0.82972700  1
  Ca  Ca25  1  0.44274300  0.61301700  0.40477400  1
  Ca  Ca26  1  0.53797000  0.20824300  0.59522600  1
  Ca  Ca27  1  0.90477400  0.11301700  0.94274300  1
  Ca  Ca28  1  0.94274300  0.90477400  0.11301700  1
  Ca  Ca29  1  0.11301700  0.94274300  0.90477400  1
  Ca  Ca30  1  0.82972700  0.38698300  0.29175700  1
  Ca  Ca31  1  0.55725700  0.67027300  0.96203000  1
  Ca  Ca32  1  0.20824300  0.59522600  0.53797000  1
  Ca  Ca33  1  0.59522600  0.53797000  0.20824300  1
  Ca  Ca34  1  0.67027300  0.96203000  0.55725700  1
  Ca  Ca35  1  0.29175700  0.82972700  0.38698300  1
  Re  Re36  1  0.27879300  0.27879300  0.27879300  1
  Re  Re37  1  0.50000000  0.00000000  0.72120700  1
  Re  Re38  1  0.00000000  0.72120700  0.50000000  1
  Re  Re39  1  0.72120700  0.50000000  0.00000000  1
  Re  Re40  1  0.00000000  0.22120700  0.50000000  1
  Re  Re41  1  0.22120700  0.50000000  0.00000000  1
  Re  Re42  1  0.50000000  0.00000000  0.22120700  1
  Re  Re43  1  0.77879300  0.77879300  0.77879300  1
  N  N44  1  0.82058500  0.58255100  0.45652000  1
  N  N45  1  0.54348000  0.86406500  0.12603200  1
  N  N46  1  0.23803300  0.41744900  0.37396800  1
  N  N47  1  0.32058500  0.95652000  0.08255100  1
  N  N48  1  0.95652000  0.08255100  0.32058500  1
  N  N49  1  0.08255100  0.32058500  0.95652000  1
  N  N50  1  0.73803300  0.87396800  0.91744900  1
  N  N51  1  0.04348000  0.62603200  0.36406500  1
  N  N52  1  0.76196700  0.67941500  0.13593500  1
  N  N53  1  0.37396800  0.23803300  0.41744900  1
  N  N54  1  0.58255100  0.45652000  0.82058500  1
  N  N55  1  0.91744900  0.73803300  0.87396800  1
  N  N56  1  0.62603200  0.36406500  0.04348000  1
  N  N57  1  0.13593500  0.76196700  0.67941500  1
  N  N58  1  0.87396800  0.91744900  0.73803300  1
  N  N59  1  0.36406500  0.04348000  0.62603200  1
  N  N60  1  0.67941500  0.13593500  0.76196700  1
  N  N61  1  0.12603200  0.54348000  0.86406500  1
  N  N62  1  0.17941500  0.26196700  0.63593500  1
  N  N63  1  0.26196700  0.63593500  0.17941500  1
  N  N64  1  0.61540500  0.61540500  0.61540500  1
  N  N65  1  0.50000000  0.00000000  0.38459500  1
  N  N66  1  0.38459500  0.50000000  0.00000000  1
  N  N67  1  0.00000000  0.38459500  0.50000000  1
  N  N68  1  0.88459500  0.50000000  0.00000000  1
  N  N69  1  0.00000000  0.88459500  0.50000000  1
  N  N70  1  0.50000000  0.00000000  0.88459500  1
  N  N71  1  0.11540500  0.11540500  0.11540500  1
  N  N72  1  0.45652000  0.82058500  0.58255100  1
  N  N73  1  0.86406500  0.12603200  0.54348000  1
  N  N74  1  0.41744900  0.37396800  0.23803300  1
  N  N75  1  0.63593500  0.17941500  0.26196700  1
  O  O76  1  0.62500000  0.75000000  0.37500000  1
  O  O77  1  0.87500000  0.25000000  0.12500000  1
  O  O78  1  0.75000000  0.37500000  0.62500000  1
  O  O79  1  0.25000000  0.12500000  0.87500000  1
  O  O80  1  0.12500000  0.87500000  0.25000000  1
  O  O81  1  0.37500000  0.62500000  0.75000000  1
