# generated using pymatgen
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14038100
_cell_length_b   8.09198988
_cell_length_c   19.09873335
_cell_angle_alpha   90.12813579
_cell_angle_beta   90.12901116
_cell_angle_gamma   90.10222203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Zn(PS4)2
_chemical_formula_sum   'Li12 Zn3 P6 S24'
_cell_volume   948.96967232
_cell_formula_units_Z   3
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  0.99177200  0.75631700  0.10612200  1
  Li  Li1  1  0.99856700  0.75860700  0.76444900  1
  Li  Li2  1  0.49022100  0.75590700  0.56606600  1
  Li  Li3  1  0.49701400  0.74585800  0.89385700  1
  Li  Li4  1  0.99916400  0.24953800  0.11089600  1
  Li  Li5  1  0.99935200  0.25129800  0.42803200  1
  Li  Li6  1  0.49652100  0.25699100  0.24251200  1
  Li  Li7  1  0.50000100  0.24338400  0.55796400  1
  Li  Li8  1  0.48968400  0.25598900  0.89429500  1
  Li  Li9  1  0.48810500  0.00839300  0.05505200  1
  Li  Li10  1  0.99083100  0.49218100  0.61238100  1
  Li  Li11  1  0.99085200  0.50598800  0.94776900  1
  Zn  Zn12  1  0.00244400  0.76114800  0.43523500  1
  Zn  Zn13  1  0.50183100  0.74117000  0.23672500  1
  Zn  Zn14  1  0.99856200  0.23004500  0.76444100  1
  P  P15  1  0.99012200  0.98672300  0.27222900  1
  P  P16  1  0.01218700  0.00910500  0.60439600  1
  P  P17  1  0.00418700  0.99791500  0.93847200  1
  P  P18  1  0.50427600  0.49810700  0.06291600  1
  P  P19  1  0.49147000  0.51582800  0.39698500  1
  P  P20  1  0.48502900  0.48972600  0.72609600  1
  S  S21  1  0.88379600  0.76721200  0.22817200  1
  S  S22  1  0.89205300  0.79117900  0.55735100  1
  S  S23  1  0.89300400  0.78884900  0.88922400  1
  S  S24  1  0.39362600  0.71321000  0.11218400  1
  S  S25  1  0.38603100  0.73376100  0.44216200  1
  S  S26  1  0.38876700  0.70069700  0.77294200  1
  S  S27  1  0.88250500  0.20027600  0.22961900  1
  S  S28  1  0.89763500  0.21497900  0.55359300  1
  S  S29  1  0.89223800  0.21135300  0.88731200  1
  S  S30  1  0.39544000  0.29106800  0.11337200  1
  S  S31  1  0.38905100  0.29905300  0.43758400  1
  S  S32  1  0.38293700  0.27046100  0.77093900  1
  S  S33  1  0.32701100  0.99051000  0.26110400  1
  S  S34  1  0.33866100  0.00508100  0.61077400  1
  S  S35  1  0.33862900  0.00020200  0.93611200  1
  S  S36  1  0.83919000  0.49981800  0.06455500  1
  S  S37  1  0.82940100  0.51541900  0.40192700  1
  S  S38  1  0.83092500  0.48661500  0.73451200  1
  S  S39  1  0.89384700  0.00712700  0.03975800  1
  S  S40  1  0.88217200  0.99351800  0.37459300  1
  S  S41  1  0.86590900  0.00185800  0.70314700  1
  S  S42  1  0.37282100  0.51145400  0.29499300  1
  S  S43  1  0.39811600  0.49306700  0.62252800  1
  S  S44  1  0.39357500  0.50301600  0.96086800  1
