# generated using pymatgen
data_TiNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04911668
_cell_length_b   3.55007681
_cell_length_c   6.88165614
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiP
_chemical_formula_sum   'Ti4 Ni4 P4'
_cell_volume   147.78238779
_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
  Ti  Ti0  1  0.02565121  0.25000000  0.82496492  1.0
  Ti  Ti1  1  0.52565121  0.25000000  0.67503508  1.0
  Ti  Ti2  1  0.97434879  0.75000000  0.17503508  1.0
  Ti  Ti3  1  0.47434879  0.75000000  0.32496492  1.0
  Ni  Ni4  1  0.14665050  0.25000000  0.43649416  1.0
  Ni  Ni5  1  0.64665050  0.25000000  0.06350584  1.0
  Ni  Ni6  1  0.85334950  0.75000000  0.56350584  1.0
  Ni  Ni7  1  0.35334950  0.75000000  0.93649416  1.0
  P  P8  1  0.77002699  0.25000000  0.37718811  1.0
  P  P9  1  0.27002699  0.25000000  0.12281189  1.0
  P  P10  1  0.22997301  0.75000000  0.62281189  1.0
  P  P11  1  0.72997301  0.75000000  0.87718811  1.0