# generated using pymatgen
data_ScNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33682446
_cell_length_b   3.73735359
_cell_length_c   7.09441098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiP
_chemical_formula_sum   'Sc4 Ni4 P4'
_cell_volume   168.01660638
_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
  Sc  Sc0  1  0.75000000  0.47878800  0.81566600  1
  Sc  Sc1  1  0.25000000  0.02121200  0.31566600  1
  Sc  Sc2  1  0.75000000  0.97878800  0.68433400  1
  Sc  Sc3  1  0.25000000  0.52121200  0.18433400  1
  Ni  Ni4  1  0.25000000  0.64019500  0.56084900  1
  Ni  Ni5  1  0.25000000  0.14019500  0.93915100  1
  Ni  Ni6  1  0.75000000  0.85980500  0.06084900  1
  Ni  Ni7  1  0.75000000  0.35980500  0.43915100  1
  P  P8  1  0.25000000  0.76617800  0.88111400  1
  P  P9  1  0.25000000  0.26617800  0.61888600  1
  P  P10  1  0.75000000  0.23382200  0.11888600  1
  P  P11  1  0.75000000  0.73382200  0.38111400  1
