# generated using pymatgen
data_Li6Ca12W4N16O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40762068
_cell_length_b   11.40762039
_cell_length_c   11.40762100
_cell_angle_alpha   109.47121994
_cell_angle_beta   109.47121943
_cell_angle_gamma   109.47122235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ca12W4N16O3
_chemical_formula_sum   'Li12 Ca24 W8 N32 O6'
_cell_volume   1142.78183111
_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  0.25000100  0.27397400  0.02397400  1
  Li  Li1  1  0.25000000  0.97602600  0.72602700  1
  Li  Li2  1  0.77397400  0.75000000  0.52397300  1
  Li  Li3  1  0.52397400  0.77397400  0.75000000  1
  Li  Li4  1  0.72602600  0.24999900  0.97602600  1
  Li  Li5  1  0.97602600  0.72602600  0.25000000  1
  Li  Li6  1  0.74999900  0.22602600  0.47602600  1
  Li  Li7  1  0.22602700  0.47602600  0.75000000  1
  Li  Li8  1  0.27397300  0.02397400  0.25000000  1
  Li  Li9  1  0.02397400  0.24999900  0.27397400  1
  Li  Li10  1  0.47602600  0.75000000  0.22602600  1
  Li  Li11  1  0.75000000  0.52397400  0.77397400  1
  Ca  Ca12  1  0.59337000  0.53748100  0.20805500  1
  Ca  Ca13  1  0.96251800  0.55588900  0.67057300  1
  Ca  Ca14  1  0.29194400  0.82942600  0.38531500  1
  Ca  Ca15  1  0.90663000  0.11468600  0.94411200  1
  Ca  Ca16  1  0.11468500  0.94411200  0.90663100  1
  Ca  Ca17  1  0.94411200  0.90663000  0.11468600  1
  Ca  Ca18  1  0.09337000  0.70805600  0.03748100  1
  Ca  Ca19  1  0.17057400  0.05588900  0.46251900  1
  Ca  Ca20  1  0.32942700  0.79194500  0.88531400  1
  Ca  Ca21  1  0.44411200  0.61468600  0.40663000  1
  Ca  Ca22  1  0.61468500  0.40663000  0.44411200  1
  Ca  Ca23  1  0.03748200  0.09337000  0.70805500  1
  Ca  Ca24  1  0.05588800  0.46251900  0.17057300  1
  Ca  Ca25  1  0.88531500  0.32942600  0.79194500  1
  Ca  Ca26  1  0.70805500  0.03748100  0.09337000  1
  Ca  Ca27  1  0.46251900  0.17057400  0.05588900  1
  Ca  Ca28  1  0.79194400  0.88531400  0.32942600  1
  Ca  Ca29  1  0.67057400  0.96251900  0.55588900  1
  Ca  Ca30  1  0.82942600  0.38531400  0.29194500  1
  Ca  Ca31  1  0.38531400  0.29194500  0.82942600  1
  Ca  Ca32  1  0.53748200  0.20805600  0.59337000  1
  Ca  Ca33  1  0.20805500  0.59337000  0.53748200  1
  Ca  Ca34  1  0.55588800  0.67057300  0.96251900  1
  Ca  Ca35  1  0.40663000  0.44411100  0.61468500  1
  W  W36  1  0.27560100  0.27560100  0.27560100  1
  W  W37  1  0.72439900  0.50000000  0.00000000  1
  W  W38  1  0.50000000  0.00000000  0.72439900  1
  W  W39  1  0.00000000  0.72439900  0.50000000  1
  W  W40  1  0.50000000  0.00000000  0.22439900  1
  W  W41  1  0.00000000  0.22439900  0.50000000  1
  W  W42  1  0.22439900  0.50000000  0.00000000  1
  W  W43  1  0.77560100  0.77560100  0.77560100  1
  N  N44  1  0.10922200  0.10922300  0.10922200  1
  N  N45  1  0.89077800  0.50000000  0.00000000  1
  N  N46  1  0.50000000  0.00000000  0.89077700  1
  N  N47  1  0.00000000  0.89077800  0.50000000  1
  N  N48  1  0.50000000  0.00000000  0.39077800  1
  N  N49  1  0.00000000  0.39077700  0.50000000  1
  N  N50  1  0.39077800  0.50000000  0.00000000  1
  N  N51  1  0.60922200  0.60922300  0.60922200  1
  N  N52  1  0.41858900  0.36674300  0.23407800  1
  N  N53  1  0.13325700  0.55184600  0.86733600  1
  N  N54  1  0.26592100  0.63266500  0.18451000  1
  N  N55  1  0.08141000  0.31548900  0.94815400  1
  N  N56  1  0.31548900  0.94815400  0.08141100  1
  N  N57  1  0.94815400  0.08141100  0.31548900  1
  N  N58  1  0.91858900  0.73407800  0.86674300  1
  N  N59  1  0.36733500  0.05184600  0.63325700  1
  N  N60  1  0.13266500  0.76592200  0.68451100  1
  N  N61  1  0.44815400  0.81548900  0.58141000  1
  N  N62  1  0.81549000  0.58141100  0.44815400  1
  N  N63  1  0.86674300  0.91858900  0.73407800  1
  N  N64  1  0.05184600  0.63325700  0.36733500  1
  N  N65  1  0.68451100  0.13266500  0.76592200  1
  N  N66  1  0.73407800  0.86674300  0.91858900  1
  N  N67  1  0.63325600  0.36733500  0.05184500  1
  N  N68  1  0.76592100  0.68451100  0.13266500  1
  N  N69  1  0.86733600  0.13325700  0.55184600  1
  N  N70  1  0.63266500  0.18451100  0.26592200  1
  N  N71  1  0.18451100  0.26592200  0.63266500  1
  N  N72  1  0.36674300  0.23407800  0.41858900  1
  N  N73  1  0.23407900  0.41858900  0.36674300  1
  N  N74  1  0.55184600  0.86733500  0.13325700  1
  N  N75  1  0.58141100  0.44815400  0.81549000  1
  O  O76  1  0.12500000  0.87500000  0.25000000  1
  O  O77  1  0.62500000  0.75000000  0.37500000  1
  O  O78  1  0.87500000  0.24999900  0.12500000  1
  O  O79  1  0.25000000  0.12500000  0.87500000  1
  O  O80  1  0.75000000  0.37500000  0.62500000  1
  O  O81  1  0.37500000  0.62500000  0.75000000  1
