# generated using pymatgen
data_Li31Zr2P13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18259955
_cell_length_b   4.18259994
_cell_length_c   55.10725452
_cell_angle_alpha   60.41270118
_cell_angle_beta   60.41270459
_cell_angle_gamma   60.04042488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li31Zr2P13
_chemical_formula_sum   'Li31 Zr2 P13'
_cell_volume   686.12252046
_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  0.26583100  0.26583100  0.16941400  1.0
  Li  Li1  1  0.74154900  0.74154900  0.05965000  1.0
  Li  Li2  1  0.48577000  0.48577000  0.19558700  1.0
  Li  Li3  1  0.25081300  0.25081300  0.24981600  1.0
  Li  Li4  1  0.73723300  0.73723300  0.13752500  1.0
  Li  Li5  1  0.49268100  0.49268100  0.27095000  1.0
  Li  Li6  1  0.25349200  0.25349200  0.32611100  1.0
  Li  Li7  1  0.74705400  0.74705400  0.21223200  1.0
  Li  Li8  1  0.23918200  0.23918200  0.40640000  1.0
  Li  Li9  1  0.48718500  0.48718500  0.34912900  1.0
  Li  Li10  1  0.74950600  0.74950600  0.28858600  1.0
  Li  Li11  1  0.24827700  0.24827700  0.48115000  1.0
  Li  Li12  1  0.73150100  0.73150100  0.36955100  1.0
  Li  Li13  1  0.24693500  0.24693500  0.55835500  1.0
  Li  Li14  1  0.75756600  0.75756600  0.44058200  1.0
  Li  Li15  1  0.24158700  0.24158700  0.63652900  1.0
  Li  Li16  1  0.75334200  0.75334200  0.51851100  1.0
  Li  Li17  1  0.26928700  0.26928700  0.70720700  1.0
  Li  Li18  1  0.75228600  0.75228600  0.59566400  1.0
  Li  Li19  1  0.76091600  0.76091600  0.67050800  1.0
  Li  Li20  1  0.51386000  0.51386000  0.72755900  1.0
  Li  Li21  1  0.25147100  0.25147100  0.78810500  1.0
  Li  Li22  1  0.50965000  0.50965000  0.80544300  1.0
  Li  Li23  1  0.25321100  0.25321100  0.86464100  1.0
  Li  Li24  1  0.74698200  0.74698200  0.75070000  1.0
  Li  Li25  1  0.51325200  0.51325200  0.88155200  1.0
  Li  Li26  1  0.25945500  0.25945500  0.94010300  1.0
  Li  Li27  1  0.74978400  0.74978400  0.82698500  1.0
  Li  Li28  1  0.52558500  0.52558500  0.95562900  1.0
  Li  Li29  1  0.75637200  0.75637200  0.90236200  1.0
  Li  Li30  1  0.74931000  0.74931000  0.98092500  1.0
  Zr  Zr31  1  0.23626600  0.23626600  0.02241800  1.0
  Zr  Zr32  1  0.24009400  0.24009400  0.09850700  1.0
  P  P33  1  0.00174500  0.00174500  0.99953900  1.0
  P  P34  1  0.99008900  0.99008900  0.07919600  1.0
  P  P35  1  0.99468700  0.99468700  0.15507800  1.0
  P  P36  1  0.01029300  0.01029300  0.22839300  1.0
  P  P37  1  0.01459100  0.01459100  0.38119800  1.0
  P  P38  1  0.01085100  0.01085100  0.30520200  1.0
  P  P39  1  0.99675500  0.99675500  0.46220700  1.0
  P  P40  1  0.00023300  0.00023300  0.53841500  1.0
  P  P41  1  0.00329600  0.00329600  0.61470300  1.0
  P  P42  1  0.98826000  0.98826000  0.77192500  1.0
  P  P43  1  0.98527600  0.98527600  0.69577400  1.0
  P  P44  1  0.99179600  0.99179600  0.84805700  1.0
  P  P45  1  0.99484500  0.99484500  0.92423400  1.0