# generated using pymatgen
data_Zr6Ni20P13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.48719808
_cell_length_b   12.48719808
_cell_length_c   3.63664053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Ni20P13
_chemical_formula_sum   'Zr6 Ni20 P13'
_cell_volume   491.08990638
_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
  Zr  Zr0  1  0.80872900  0.28262400  0.50000000  1
  Zr  Zr1  1  0.71737600  0.52610500  0.50000000  1
  Zr  Zr2  1  0.47389500  0.19127100  0.50000000  1
  Zr  Zr3  1  0.19138900  0.71819600  0.00000000  1
  Zr  Zr4  1  0.28180400  0.47319300  0.00000000  1
  Zr  Zr5  1  0.52680700  0.80861100  0.00000000  1
  Ni  Ni6  1  0.41808600  0.97941800  0.00000000  1
  Ni  Ni7  1  0.02058200  0.43866800  0.00000000  1
  Ni  Ni8  1  0.58495000  0.02090800  0.50000000  1
  Ni  Ni9  1  0.56133200  0.58191400  0.00000000  1
  Ni  Ni10  1  0.97909200  0.56404200  0.50000000  1
  Ni  Ni11  1  0.92133400  0.08179000  0.50000000  1
  Ni  Ni12  1  0.16045600  0.07866600  0.50000000  1
  Ni  Ni13  1  0.91821000  0.83954400  0.50000000  1
  Ni  Ni14  1  0.09406100  0.89538500  0.00000000  1
  Ni  Ni15  1  0.80132400  0.90593900  0.00000000  1
  Ni  Ni16  1  0.10461500  0.19867600  0.00000000  1
  Ni  Ni17  1  0.33333300  0.66666700  0.50000000  1
  Ni  Ni18  1  0.66666700  0.33333300  0.00000000  1
  Ni  Ni19  1  0.67661700  0.74824200  0.50000000  1
  Ni  Ni20  1  0.25175800  0.92837500  0.50000000  1
  Ni  Ni21  1  0.92088600  0.67578700  0.00000000  1
  Ni  Ni22  1  0.32421300  0.24509900  0.00000000  1
  Ni  Ni23  1  0.75490100  0.07911400  0.00000000  1
  Ni  Ni24  1  0.43595800  0.41505000  0.50000000  1
  Ni  Ni25  1  0.07162500  0.32338300  0.50000000  1
  P  P26  1  0.00000000  0.00000000  0.00000000  1
  P  P27  1  0.23242900  0.28519100  0.50000000  1
  P  P28  1  0.71480900  0.94723700  0.50000000  1
  P  P29  1  0.05276300  0.76757100  0.50000000  1
  P  P30  1  0.76632600  0.71322300  0.00000000  1
  P  P31  1  0.28677700  0.05310300  0.00000000  1
  P  P32  1  0.47287000  0.61335000  0.50000000  1
  P  P33  1  0.38665000  0.85952000  0.50000000  1
  P  P34  1  0.86002200  0.47364400  0.00000000  1
  P  P35  1  0.52635600  0.38637800  0.00000000  1
  P  P36  1  0.61362200  0.13997800  0.00000000  1
  P  P37  1  0.94689700  0.23367400  0.00000000  1
  P  P38  1  0.14048000  0.52713000  0.50000000  1
