# generated using pymatgen
data_ThNi5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07778723
_cell_length_b   6.07778721
_cell_length_c   11.34449161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.53944994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi5P3
_chemical_formula_sum   'Th2 Ni10 P6'
_cell_volume   237.12024915
_cell_formula_units_Z   2
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  0.15678879  0.84321121  0.25000000  1.0
  Th  Th1  1  0.84321121  0.15678879  0.75000000  1.0
  Ni  Ni2  1  0.80083768  0.19916232  0.06741698  1.0
  Ni  Ni3  1  0.19916232  0.80083768  0.93258302  1.0
  Ni  Ni4  1  0.19916232  0.80083768  0.56741698  1.0
  Ni  Ni5  1  0.80083768  0.19916232  0.43258302  1.0
  Ni  Ni6  1  0.44465150  0.55534850  0.14488643  1.0
  Ni  Ni7  1  0.55534850  0.44465150  0.85511357  1.0
  Ni  Ni8  1  0.55534850  0.44465150  0.64488643  1.0
  Ni  Ni9  1  0.44465150  0.55534850  0.35511357  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni11  1  0.00000000  0.00000000  0.50000000  1.0
  P  P12  1  0.88196013  0.11803987  0.25000000  1.0
  P  P13  1  0.11803987  0.88196013  0.75000000  1.0
  P  P14  1  0.61715745  0.38284255  0.04173773  1.0
  P  P15  1  0.38284255  0.61715745  0.95826227  1.0
  P  P16  1  0.38284255  0.61715745  0.54173773  1.0
  P  P17  1  0.61715745  0.38284255  0.45826227  1.0