# generated using pymatgen
data_Si3NiP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20341572
_cell_length_b   5.20341572
_cell_length_c   10.42960851
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3NiP4
_chemical_formula_sum   'Si6 Ni2 P8'
_cell_volume   282.38723187
_cell_formula_units_Z   2
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
  Si  Si0  1  0.50000000  0.00000000  0.75000000  1
  Si  Si1  1  0.50000000  0.50000000  0.00000000  1
  Si  Si2  1  0.00000000  0.50000000  0.75000000  1
  Si  Si3  1  0.00000000  0.50000000  0.25000000  1
  Si  Si4  1  0.00000000  0.00000000  0.50000000  1
  Si  Si5  1  0.50000000  0.00000000  0.25000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.50000000  1
  P  P8  1  0.75821700  0.24178300  0.88134600  1
  P  P9  1  0.24178300  0.75821700  0.88134600  1
  P  P10  1  0.25821700  0.25821700  0.61865400  1
  P  P11  1  0.74178300  0.74178300  0.61865400  1
  P  P12  1  0.25821700  0.74178300  0.38134600  1
  P  P13  1  0.74178300  0.25821700  0.38134600  1
  P  P14  1  0.75821700  0.75821700  0.11865400  1
  P  P15  1  0.24178300  0.24178300  0.11865400  1
