# generated using pymatgen
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40667500
_cell_length_b   7.93091043
_cell_length_c   18.44270297
_cell_angle_alpha   89.86814292
_cell_angle_beta   89.81907533
_cell_angle_gamma   89.64710206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Zn(PS4)2
_chemical_formula_sum   'Li12 Zn3 P6 S24'
_cell_volume   937.06297114
_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  0.68810700  0.76199400  0.33123200  1
  Li  Li1  1  0.69502400  0.76668300  0.99854600  1
  Li  Li2  1  0.31444900  0.74378800  0.50052300  1
  Li  Li3  1  0.31045500  0.73315700  0.83691500  1
  Li  Li4  1  0.68488500  0.24192600  0.32996200  1
  Li  Li5  1  0.30965400  0.26545000  0.16209300  1
  Li  Li6  1  0.31513300  0.24731300  0.50009400  1
  Li  Li7  1  0.31991700  0.25054200  0.83453400  1
  Li  Li8  1  0.85027900  0.00805600  0.49950700  1
  Li  Li9  1  0.84831800  0.01722500  0.82345800  1
  Li  Li10  1  0.14067500  0.49230400  0.33082700  1
  Li  Li11  1  0.14143700  0.45684000  0.66338300  1
  Zn  Zn12  1  0.69495200  0.74114300  0.66712500  1
  Zn  Zn13  1  0.30247000  0.75730600  0.16474700  1
  Zn  Zn14  1  0.69990800  0.25959500  0.00050300  1
  P  P15  1  0.16841900  0.00379500  0.33006200  1
  P  P16  1  0.18623900  0.98498900  0.66892200  1
  P  P17  1  0.20067300  0.00496300  0.00143100  1
  P  P18  1  0.81054300  0.51387000  0.16511800  1
  P  P19  1  0.81637700  0.50449500  0.50034700  1
  P  P20  1  0.82016700  0.48993300  0.83131400  1
  S  S21  1  0.32049200  0.78221300  0.29386300  1
  S  S22  1  0.33064800  0.76147600  0.63296000  1
  S  S23  1  0.32474700  0.78675100  0.96660100  1
  S  S24  1  0.66321400  0.73054800  0.12999400  1
  S  S25  1  0.67639100  0.72202300  0.46354500  1
  S  S26  1  0.67826400  0.71709600  0.79655300  1
  S  S27  1  0.32234700  0.21542900  0.29389800  1
  S  S28  1  0.33583100  0.18873300  0.62950800  1
  S  S29  1  0.33937000  0.22643200  0.96733500  1
  S  S30  1  0.68659700  0.28989600  0.12856600  1
  S  S31  1  0.67457200  0.29153400  0.46078900  1
  S  S32  1  0.67170700  0.29039900  0.78886300  1
  S  S33  1  0.17672300  0.00860800  0.11322600  1
  S  S34  1  0.19516500  0.99644200  0.44177700  1
  S  S35  1  0.20090200  0.98846100  0.78039400  1
  S  S36  1  0.79084700  0.50264100  0.27646700  1
  S  S37  1  0.78798700  0.48301800  0.61260400  1
  S  S38  1  0.81852800  0.50618400  0.94369500  1
  S  S39  1  0.87639500  0.00198900  0.29071200  1
  S  S40  1  0.87628300  0.98826700  0.63519800  1
  S  S41  1  0.89144800  0.01895700  0.96043300  1
  S  S42  1  0.11308000  0.51997200  0.12548500  1
  S  S43  1  0.12290900  0.49896000  0.46650400  1
  S  S44  1  0.12356300  0.49238700  0.79521100  1
