# generated using pymatgen
data_FeNiP6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94326124
_cell_length_b   7.75269932
_cell_length_c   7.74290467
_cell_angle_alpha   90.00000000
_cell_angle_beta   134.93058652
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiP6
_chemical_formula_sum   'Fe4 Ni4 P24'
_cell_volume   465.06550728
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.25000000  0.75000000  -0.00000000  1
  Fe  Fe1  1  0.75000000  0.75000000  -0.00000000  1
  Fe  Fe2  1  0.75000000  0.25000000  -0.00000000  1
  Fe  Fe3  1  0.25000000  0.25000000  -0.00000000  1
  Ni  Ni4  1  0.25000000  0.25000000  0.50000000  1
  Ni  Ni5  1  0.25000000  0.75000000  0.50000000  1
  Ni  Ni6  1  0.75000000  0.75000000  0.50000000  1
  Ni  Ni7  1  0.75000000  0.25000000  0.50000000  1
  P  P8  1  0.65416100  0.00000000  0.80193200  1
  P  P9  1  0.84583900  0.50000000  0.19806800  1
  P  P10  1  0.14754000  0.50000000  0.50368600  1
  P  P11  1  0.35246000  0.00000000  0.49631400  1
  P  P12  1  0.00592900  0.85430700  0.65658900  1
  P  P13  1  0.49407100  0.64569300  0.34341100  1
  P  P14  1  0.50592900  0.64569300  0.65658900  1
  P  P15  1  0.99407100  0.85430700  0.34341100  1
  P  P16  1  0.14546600  0.34928200  0.14006000  1
  P  P17  1  0.35453400  0.15071800  0.85994000  1
  P  P18  1  0.35453400  0.84928200  0.85994000  1
  P  P19  1  0.14546600  0.65071800  0.14006000  1
  P  P20  1  0.15416100  0.50000000  0.80193200  1
  P  P21  1  0.34583900  0.00000000  0.19806800  1
  P  P22  1  0.64754000  0.00000000  0.50368600  1
  P  P23  1  0.85246000  0.50000000  0.49631400  1
  P  P24  1  0.50592900  0.35430700  0.65658900  1
  P  P25  1  0.99407100  0.14569300  0.34341100  1
  P  P26  1  0.00592900  0.14569300  0.65658900  1
  P  P27  1  0.49407100  0.35430700  0.34341100  1
  P  P28  1  0.64546600  0.84928200  0.14006000  1
  P  P29  1  0.85453400  0.65071800  0.85994000  1
  P  P30  1  0.85453400  0.34928200  0.85994000  1
  P  P31  1  0.64546600  0.15071800  0.14006000  1
