# generated using pymatgen
data_Li31Zr2As13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32347398
_cell_length_b   4.32347397
_cell_length_c   56.89392464
_cell_angle_alpha   60.36726033
_cell_angle_beta   60.36725995
_cell_angle_gamma   60.05530910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li31Zr2As13
_chemical_formula_sum   'Li31 Zr2 As13'
_cell_volume   756.46430771
_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  0.26429300  0.26429300  0.16978500  1.0
  Li  Li1  1  0.74434600  0.74434600  0.05901600  1.0
  Li  Li2  1  0.73985500  0.73985500  0.13693000  1.0
  Li  Li3  1  0.48811100  0.48811100  0.19504800  1.0
  Li  Li4  1  0.25106400  0.25106400  0.24975400  1.0
  Li  Li5  1  0.25332700  0.25332700  0.32615500  1.0
  Li  Li6  1  0.74687900  0.74687900  0.21225900  1.0
  Li  Li7  1  0.49309200  0.49309200  0.27086100  1.0
  Li  Li8  1  0.48833700  0.48833700  0.34887200  1.0
  Li  Li9  1  0.74980400  0.74980400  0.28852200  1.0
  Li  Li10  1  0.24061500  0.24061500  0.40604900  1.0
  Li  Li11  1  0.24880300  0.24880300  0.48103700  1.0
  Li  Li12  1  0.73508400  0.73508400  0.36870500  1.0
  Li  Li13  1  0.75838500  0.75838500  0.44040700  1.0
  Li  Li14  1  0.24649300  0.24649300  0.55844100  1.0
  Li  Li15  1  0.75287000  0.75287000  0.51862500  1.0
  Li  Li16  1  0.24203200  0.24203200  0.63642800  1.0
  Li  Li17  1  0.26537400  0.26537400  0.70811300  1.0
  Li  Li18  1  0.75050300  0.75050300  0.59603400  1.0
  Li  Li19  1  0.75984700  0.75984700  0.67078400  1.0
  Li  Li20  1  0.51254200  0.51254200  0.72785900  1.0
  Li  Li21  1  0.25114300  0.25114300  0.78821900  1.0
  Li  Li22  1  0.25223700  0.25223700  0.86487000  1.0
  Li  Li23  1  0.74704600  0.74704600  0.75071400  1.0
  Li  Li24  1  0.50848100  0.50848100  0.80573500  1.0
  Li  Li25  1  0.74940500  0.74940500  0.82706700  1.0
  Li  Li26  1  0.51142900  0.51142900  0.88198600  1.0
  Li  Li27  1  0.25941100  0.25941100  0.94011900  1.0
  Li  Li28  1  0.75541900  0.75541900  0.90259700  1.0
  Li  Li29  1  0.52282800  0.52282800  0.95627300  1.0
  Li  Li30  1  0.74779700  0.74779700  0.98127100  1.0
  Zr  Zr31  1  0.23780200  0.23780200  0.02205600  1.0
  Zr  Zr32  1  0.24021300  0.24021300  0.09846900  1.0
  As  As33  1  0.00421900  0.00421900  0.99898300  1.0
  As  As34  1  0.99086800  0.99086800  0.07901200  1.0
  As  As35  1  0.99427600  0.99427600  0.15515300  1.0
  As  As36  1  0.00943700  0.00943700  0.22857000  1.0
  As  As37  1  0.00939400  0.00939400  0.30555200  1.0
  As  As38  1  0.01374400  0.01374400  0.38138800  1.0
  As  As39  1  0.99630200  0.99630200  0.46230200  1.0
  As  As40  1  0.99978600  0.99978600  0.53848000  1.0
  As  As41  1  0.00351500  0.00351500  0.61461100  1.0
  As  As42  1  0.98607800  0.98607800  0.69555900  1.0
  As  As43  1  0.99016900  0.99016900  0.77155800  1.0
  As  As44  1  0.99494800  0.99494800  0.92419100  1.0
  As  As45  1  0.99240000  0.99240000  0.84788600  1.0