# generated using pymatgen
data_Li31Zr2Sb13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62508696
_cell_length_b   4.62508695
_cell_length_c   60.69451750
_cell_angle_alpha   60.25493927
_cell_angle_beta   60.25494183
_cell_angle_gamma   60.09273528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li31Zr2Sb13
_chemical_formula_sum   'Li31 Zr2 Sb13'
_cell_volume   922.23768104
_cell_formula_units_Z   1
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  0.74693100  0.74693100  0.05840900  1
  Li  Li1  1  0.25894400  0.25894400  0.17100100  1
  Li  Li2  1  0.25071100  0.25071100  0.24981500  1
  Li  Li3  1  0.49031300  0.49031300  0.19452600  1
  Li  Li4  1  0.74385200  0.74385200  0.13596800  1
  Li  Li5  1  0.25297300  0.25297300  0.32622600  1
  Li  Li6  1  0.74650200  0.74650200  0.21232400  1
  Li  Li7  1  0.49308600  0.49308600  0.27085300  1
  Li  Li8  1  0.48784000  0.48784000  0.34898100  1
  Li  Li9  1  0.75074300  0.75074300  0.28828500  1
  Li  Li10  1  0.24213900  0.24213900  0.40568400  1
  Li  Li11  1  0.24797800  0.24797800  0.48125600  1
  Li  Li12  1  0.74252600  0.74252600  0.36696800  1
  Li  Li13  1  0.24754600  0.24754600  0.55821000  1
  Li  Li14  1  0.75874600  0.75874600  0.44032100  1
  Li  Li15  1  0.75175500  0.75175500  0.51885100  1
  Li  Li16  1  0.24166600  0.24166600  0.63650300  1
  Li  Li17  1  0.75115600  0.75115600  0.59585700  1
  Li  Li18  1  0.25754500  0.25754500  0.70993100  1
  Li  Li19  1  0.75817400  0.75817400  0.67116200  1
  Li  Li20  1  0.51286900  0.51286900  0.72777700  1
  Li  Li21  1  0.24982300  0.24982300  0.78849900  1
  Li  Li22  1  0.74722000  0.74722000  0.75065700  1
  Li  Li23  1  0.50732100  0.50732100  0.80596500  1
  Li  Li24  1  0.25073200  0.25073200  0.86522900  1
  Li  Li25  1  0.74982500  0.74982500  0.82698400  1
  Li  Li26  1  0.51146700  0.51146700  0.88196600  1
  Li  Li27  1  0.26088800  0.26088800  0.93980500  1
  Li  Li28  1  0.51703600  0.51703600  0.95761700  1
  Li  Li29  1  0.75346100  0.75346100  0.90306700  1
  Li  Li30  1  0.74662100  0.74662100  0.98157700  1
  Zr  Zr31  1  0.24129600  0.24129600  0.02129400  1
  Zr  Zr32  1  0.24061000  0.24061000  0.09838400  1
  Sb  Sb33  1  0.00617600  0.00617600  0.99861100  1
  Sb  Sb34  1  0.99255500  0.99255500  0.07864700  1
  Sb  Sb35  1  0.99317100  0.99317100  0.15535700  1
  Sb  Sb36  1  0.01071600  0.01071600  0.38206300  1
  Sb  Sb37  1  0.00656600  0.00656600  0.22921400  1
  Sb  Sb38  1  0.00649900  0.00649900  0.30616900  1
  Sb  Sb39  1  0.99991900  0.99991900  0.53846700  1
  Sb  Sb40  1  0.99626100  0.99626100  0.46235900  1
  Sb  Sb41  1  0.99326800  0.99326800  0.77080400  1
  Sb  Sb42  1  0.00357600  0.00357600  0.61459400  1
  Sb  Sb43  1  0.98915000  0.98915000  0.69488100  1
  Sb  Sb44  1  0.99520200  0.99520200  0.84730600  1
  Sb  Sb45  1  0.99664800  0.99664800  0.92388500  1
