# generated using pymatgen
data_TcNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57219380
_cell_length_b   3.70881199
_cell_length_c   6.83815004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiP
_chemical_formula_sum   'Tc4 Ni4 P4'
_cell_volume   141.31870770
_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
  Tc  Tc0  1  0.48075240  0.24999900  0.17088216  1.0
  Tc  Tc1  1  0.98075140  0.24999900  0.32911784  1.0
  Tc  Tc2  1  0.01924760  0.75000000  0.67088116  1.0
  Tc  Tc3  1  0.51924660  0.75000000  0.82911784  1.0
  Ni  Ni4  1  0.13734881  0.75000000  0.06828270  1.0
  Ni  Ni5  1  0.63734781  0.75000000  0.43171730  1.0
  Ni  Ni6  1  0.36265219  0.24999900  0.56828270  1.0
  Ni  Ni7  1  0.86265119  0.24999900  0.93171630  1.0
  P  P8  1  0.74846128  0.75000000  0.11882921  1.0
  P  P9  1  0.24846128  0.75000000  0.38117079  1.0
  P  P10  1  0.75153872  0.24999900  0.61882821  1.0
  P  P11  1  0.25153772  0.24999900  0.88117079  1.0