# generated using pymatgen
data_Li7Nd3Zr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17787301
_cell_length_b   11.17787301
_cell_length_c   11.17787301
_cell_angle_alpha   108.56600733
_cell_angle_beta   108.56600733
_cell_angle_gamma   111.29722376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Nd3Zr2O12
_chemical_formula_sum   'Li28 Nd12 Zr8 O48'
_cell_volume   1074.29482838
_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  0.93273100  0.93273100  0.36546100  1
  Li  Li5  1  0.06726900  0.43273100  0.00000000  1
  Li  Li6  1  0.68273100  0.18273100  0.86546100  1
  Li  Li7  1  0.81726900  0.68273100  0.50000000  1
  Li  Li8  1  0.31726900  0.81726900  0.13453900  1
  Li  Li9  1  0.18273100  0.31726900  0.50000000  1
  Li  Li10  1  0.56726900  0.56726900  0.63453900  1
  Li  Li11  1  0.43273100  0.06726900  0.00000000  1
  Li  Li12  1  0.90882400  0.14947200  0.91771700  1
  Li  Li13  1  0.73175500  0.64947200  0.24064800  1
  Li  Li14  1  0.89947200  0.15882400  0.41771700  1
  Li  Li15  1  0.24110700  0.65882400  0.25935200  1
  Li  Li16  1  0.34117600  0.60052800  0.58228300  1
  Li  Li17  1  0.51824500  0.10052800  0.25935200  1
  Li  Li18  1  0.35052800  0.59117600  0.08228300  1
  Li  Li19  1  0.00889300  0.09117600  0.24064800  1
  Li  Li20  1  0.40882400  0.49110700  0.75935200  1
  Li  Li21  1  0.23175500  0.99110700  0.08228300  1
  Li  Li22  1  0.39947200  0.98175500  0.74064800  1
  Li  Li23  1  0.74110700  0.48175500  0.58228300  1
  Li  Li24  1  0.84117600  0.25889300  0.74064800  1
  Li  Li25  1  0.01824500  0.75889300  0.41771700  1
  Li  Li26  1  0.85052800  0.76824500  0.75935200  1
  Li  Li27  1  0.50889300  0.26824500  0.91771700  1
  Nd  Nd28  1  0.75000000  0.75000000  0.00000000  1
  Nd  Nd29  1  0.25000000  0.25000000  0.00000000  1
  Nd  Nd30  1  0.50000000  0.00000000  0.50000000  1
  Nd  Nd31  1  0.00000000  0.50000000  0.50000000  1
  Nd  Nd32  1  0.37500000  0.75246800  0.87746800  1
  Nd  Nd33  1  0.37500000  0.25246800  0.37746800  1
  Nd  Nd34  1  0.50246800  0.62500000  0.37746800  1
  Nd  Nd35  1  0.74753200  0.12500000  0.12253200  1
  Nd  Nd36  1  0.87500000  0.99753200  0.62253200  1
  Nd  Nd37  1  0.87500000  0.49753200  0.12253200  1
  Nd  Nd38  1  0.00246800  0.62500000  0.87746800  1
  Nd  Nd39  1  0.24753200  0.12500000  0.62253200  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  0.52808600  0.95731400  0.12491000  1
  O  O49  1  0.33240400  0.45731400  0.42922700  1
  O  O50  1  0.70731400  0.77808600  0.62491000  1
  O  O51  1  0.65317700  0.27808600  0.07077300  1
  O  O52  1  0.72191400  0.79268600  0.37509000  1
  O  O53  1  0.91759600  0.29268600  0.07077300  1
  O  O54  1  0.54268600  0.97191400  0.87509000  1
  O  O55  1  0.59682300  0.47191400  0.42922700  1
  O  O56  1  0.02808600  0.90317700  0.57077300  1
  O  O57  1  0.83240400  0.40317700  0.87509000  1
  O  O58  1  0.20731400  0.58240400  0.92922700  1
  O  O59  1  0.15317700  0.08240400  0.37509000  1
  O  O60  1  0.22191400  0.84682300  0.92922700  1
  O  O61  1  0.41759600  0.34682300  0.62491000  1
  O  O62  1  0.04268600  0.16759600  0.57077300  1
  O  O63  1  0.09682300  0.66759600  0.12491000  1
  O  O64  1  0.81330800  0.97292400  0.22761100  1
  O  O65  1  0.24531300  0.47292400  0.15961600  1
  O  O66  1  0.72292400  0.06330800  0.72761100  1
  O  O67  1  0.83569700  0.56330800  0.34038400  1
  O  O68  1  0.43669200  0.77707600  0.27238900  1
  O  O69  1  0.00468700  0.27707600  0.34038400  1
  O  O70  1  0.52707600  0.68669200  0.77238900  1
  O  O71  1  0.41430300  0.18669200  0.15961600  1
  O  O72  1  0.31330800  0.08569700  0.84038400  1
  O  O73  1  0.74531300  0.58569700  0.77238900  1
  O  O74  1  0.22292400  0.49531300  0.65961600  1
  O  O75  1  0.33569700  0.99531300  0.27238900  1
  O  O76  1  0.93669200  0.66430300  0.65961600  1
  O  O77  1  0.50468700  0.16430300  0.72761100  1
  O  O78  1  0.02707600  0.25468700  0.84038400  1
  O  O79  1  0.91430300  0.75468700  0.22761100  1
  O  O80  1  0.53470400  0.69227300  0.04375700  1
  O  O81  1  0.14851600  0.19227300  0.15756900  1
  O  O82  1  0.44227300  0.78470400  0.54375700  1
  O  O83  1  0.74094700  0.28470400  0.34243100  1
  O  O84  1  0.71529600  0.05772700  0.45624300  1
  O  O85  1  0.10148400  0.55772700  0.34243100  1
  O  O86  1  0.80772700  0.96529600  0.95624300  1
  O  O87  1  0.50905300  0.46529600  0.15756900  1
  O  O88  1  0.03470400  0.99094700  0.84243100  1
  O  O89  1  0.64851600  0.49094700  0.95624300  1
  O  O90  1  0.94227300  0.39851600  0.65756900  1
  O  O91  1  0.24094700  0.89851600  0.45624300  1
  O  O92  1  0.21529600  0.75905300  0.65756900  1
  O  O93  1  0.60148400  0.25905300  0.54375700  1
  O  O94  1  0.30772700  0.35148400  0.84243100  1
  O  O95  1  0.00905300  0.85148400  0.04375700  1
