# generated using pymatgen
data_Li7La3Zr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31061927
_cell_length_b   11.31061927
_cell_length_c   11.31061927
_cell_angle_alpha   108.37749580
_cell_angle_beta   108.37749580
_cell_angle_gamma   111.68153854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7La3Zr2O12
_chemical_formula_sum   'Li28 La12 Zr8 O48'
_cell_volume   1112.62847653
_cell_formula_units_Z   4
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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.25000000  0.75000000  0.50000000  1
  Li  Li3  1  0.75000000  0.25000000  0.50000000  1
  Li  Li4  1  0.93121100  0.93121100  0.36242200  1
  Li  Li5  1  0.06878900  0.43121100  0.00000000  1
  Li  Li6  1  0.68121100  0.18121100  0.86242200  1
  Li  Li7  1  0.81878900  0.68121100  0.50000000  1
  Li  Li8  1  0.31878900  0.81878900  0.13757800  1
  Li  Li9  1  0.18121100  0.31878900  0.50000000  1
  Li  Li10  1  0.56878900  0.56878900  0.63757800  1
  Li  Li11  1  0.43121100  0.06878900  0.00000000  1
  Li  Li12  1  0.90667800  0.14965900  0.91805000  1
  Li  Li13  1  0.73160900  0.64965900  0.24298200  1
  Li  Li14  1  0.89965900  0.15667800  0.41805000  1
  Li  Li15  1  0.23862800  0.65667800  0.25701800  1
  Li  Li16  1  0.34332200  0.60034100  0.58195000  1
  Li  Li17  1  0.51839100  0.10034100  0.25701800  1
  Li  Li18  1  0.35034100  0.59332200  0.08195000  1
  Li  Li19  1  0.01137200  0.09332200  0.24298200  1
  Li  Li20  1  0.40667800  0.48862800  0.75701800  1
  Li  Li21  1  0.23160900  0.98862800  0.08195000  1
  Li  Li22  1  0.39965900  0.98160900  0.74298200  1
  Li  Li23  1  0.73862800  0.48160900  0.58195000  1
  Li  Li24  1  0.84332200  0.26137200  0.74298200  1
  Li  Li25  1  0.01839100  0.76137200  0.41805000  1
  Li  Li26  1  0.85034100  0.76839100  0.75701800  1
  Li  Li27  1  0.51137200  0.26839100  0.91805000  1
  La  La28  1  0.75000000  0.75000000  0.00000000  1
  La  La29  1  0.25000000  0.25000000  0.00000000  1
  La  La30  1  0.50000000  0.00000000  0.50000000  1
  La  La31  1  0.00000000  0.50000000  0.50000000  1
  La  La32  1  0.37500000  0.75237000  0.87737000  1
  La  La33  1  0.37500000  0.25237000  0.37737000  1
  La  La34  1  0.50237000  0.62500000  0.37737000  1
  La  La35  1  0.74763000  0.12500000  0.12263000  1
  La  La36  1  0.87500000  0.99763000  0.62263000  1
  La  La37  1  0.87500000  0.49763000  0.12263000  1
  La  La38  1  0.00237000  0.62500000  0.87737000  1
  La  La39  1  0.24763000  0.12500000  0.62263000  1
  Zr  Zr40  1  0.62500000  0.87500000  0.75000000  1
  Zr  Zr41  1  0.62500000  0.37500000  0.25000000  1
  Zr  Zr42  1  0.62500000  0.87500000  0.25000000  1
  Zr  Zr43  1  0.12500000  0.37500000  0.25000000  1
  Zr  Zr44  1  0.12500000  0.37500000  0.75000000  1
  Zr  Zr45  1  0.12500000  0.87500000  0.25000000  1
  Zr  Zr46  1  0.12500000  0.87500000  0.75000000  1
  Zr  Zr47  1  0.62500000  0.37500000  0.75000000  1
  O  O48  1  0.52677900  0.68668000  0.77086700  1
  O  O49  1  0.41581300  0.18668000  0.15990100  1
  O  O50  1  0.43668000  0.77677900  0.27086700  1
  O  O51  1  0.00591200  0.27677900  0.34009900  1
  O  O52  1  0.72322100  0.06332000  0.72913300  1
  O  O53  1  0.83418700  0.56332000  0.34009900  1
  O  O54  1  0.81332000  0.97322100  0.22913300  1
  O  O55  1  0.24408800  0.47322100  0.15990100  1
  O  O56  1  0.02677900  0.25591200  0.84009900  1
  O  O57  1  0.91581300  0.75591200  0.22913300  1
  O  O58  1  0.93668000  0.66581300  0.65990100  1
  O  O59  1  0.50591200  0.16581300  0.72913300  1
  O  O60  1  0.22322100  0.49408800  0.65990100  1
  O  O61  1  0.33418700  0.99408800  0.27086700  1
  O  O62  1  0.31332000  0.08418700  0.84009900  1
  O  O63  1  0.74408800  0.58418700  0.77086700  1
  O  O64  1  0.94311000  0.39563000  0.65740600  1
  O  O65  1  0.23822400  0.89563000  0.45252000  1
  O  O66  1  0.14563000  0.19311000  0.15740600  1
  O  O67  1  0.53570400  0.69311000  0.04748000  1
  O  O68  1  0.30689000  0.35437000  0.84259400  1
  O  O69  1  0.01177600  0.85437000  0.04748000  1
  O  O70  1  0.10437000  0.55689000  0.34259400  1
  O  O71  1  0.71429600  0.05689000  0.45252000  1
  O  O72  1  0.44311000  0.78570400  0.54748000  1
  O  O73  1  0.73822400  0.28570400  0.34259400  1
  O  O74  1  0.64563000  0.48822400  0.95252000  1
  O  O75  1  0.03570400  0.98822400  0.84259400  1
  O  O76  1  0.80689000  0.96429600  0.95252000  1
  O  O77  1  0.51177600  0.46429600  0.15740600  1
  O  O78  1  0.60437000  0.26177600  0.54748000  1
  O  O79  1  0.21429600  0.76177600  0.65740600  1
  O  O80  1  0.20553700  0.57958700  0.92759600  1
  O  O81  1  0.15199100  0.07958700  0.37405000  1
  O  O82  1  0.32958700  0.45553700  0.42759600  1
  O  O83  1  0.52794100  0.95553700  0.12595000  1
  O  O84  1  0.04446300  0.17041300  0.57240400  1
  O  O85  1  0.09800900  0.67041300  0.12595000  1
  O  O86  1  0.92041300  0.29446300  0.07240400  1
  O  O87  1  0.72205900  0.79446300  0.37405000  1
  O  O88  1  0.70553700  0.77794100  0.62595000  1
  O  O89  1  0.65199100  0.27794100  0.07240400  1
  O  O90  1  0.82958700  0.40199100  0.87405000  1
  O  O91  1  0.02794100  0.90199100  0.57240400  1
  O  O92  1  0.54446300  0.97205900  0.87405000  1
  O  O93  1  0.59800900  0.47205900  0.42759600  1
  O  O94  1  0.42041300  0.34800900  0.62595000  1
  O  O95  1  0.22205900  0.84800900  0.92759600  1
