# generated using pymatgen
data_ThNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94681305
_cell_length_b   3.94681232
_cell_length_c   16.28588912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNiP
_chemical_formula_sum   'Th4 Ni4 P4'
_cell_volume   219.70255597
_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
  Th  Th0  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00000000  1.0
  Th  Th2  1  0.00000000  0.00000000  0.25000000  1.0
  Th  Th3  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.38014470  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.61985530  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.88014470  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.11985530  1.0
  P  P8  1  0.33333300  0.66666700  0.87121208  1.0
  P  P9  1  0.66666700  0.33333300  0.12878792  1.0
  P  P10  1  0.66666700  0.33333300  0.37121208  1.0
  P  P11  1  0.33333300  0.66666700  0.62878792  1.0