# generated using pymatgen
data_ScNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73296501
_cell_length_b   6.33519374
_cell_length_c   7.03851522
_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   166.45424456
_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  0.48066120  0.18552120  1.0
  Sc  Sc1  1  0.25000000  0.01933880  0.68552120  1.0
  Sc  Sc2  1  0.75000000  0.98066120  0.31447880  1.0
  Sc  Sc3  1  0.25000000  0.51933880  0.81447880  1.0
  Ni  Ni4  1  0.25000000  0.64067228  0.43896992  1.0
  Ni  Ni5  1  0.25000000  0.14067228  0.06103008  1.0
  Ni  Ni6  1  0.75000000  0.85932772  0.93896992  1.0
  Ni  Ni7  1  0.75000000  0.35932772  0.56103008  1.0
  P  P8  1  0.25000000  0.76752918  0.11736216  1.0
  P  P9  1  0.25000000  0.26752918  0.38263784  1.0
  P  P10  1  0.75000000  0.23247082  0.88263784  1.0
  P  P11  1  0.75000000  0.73247082  0.61736216  1.0