# generated using pymatgen
data_Th2Ni14(PH)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23553422
_cell_length_b   6.23553432
_cell_length_c   6.23553484
_cell_angle_alpha   84.50792063
_cell_angle_beta   84.50791188
_cell_angle_gamma   84.50791653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Ni14(PH)3
_chemical_formula_sum   'Th2 Ni14 P3 H3'
_cell_volume   239.31032032
_cell_formula_units_Z   1
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  0.65240822  0.65240822  0.65240822  1.0
  Th  Th1  1  0.34759178  0.34759178  0.34759178  1.0
  Ni  Ni2  1  0.71220860  0.28779140  1.00000000  1.0
  Ni  Ni3  1  0.00000000  0.71220860  0.28779140  1.0
  Ni  Ni4  1  0.28779140  0.00000000  0.71220860  1.0
  Ni  Ni5  1  1.00000000  0.28779140  0.71220860  1.0
  Ni  Ni6  1  0.71220860  1.00000000  0.28779140  1.0
  Ni  Ni7  1  0.28779140  0.71220860  0.00000000  1.0
  Ni  Ni8  1  0.34129515  0.34129515  0.86269528  1.0
  Ni  Ni9  1  0.86269528  0.34129515  0.34129515  1.0
  Ni  Ni10  1  0.34129515  0.86269528  0.34129515  1.0
  Ni  Ni11  1  0.65870485  0.65870485  0.13730472  1.0
  Ni  Ni12  1  0.13730472  0.65870485  0.65870485  1.0
  Ni  Ni13  1  0.65870485  0.13730472  0.65870485  1.0
  Ni  Ni14  1  0.89940775  0.89940775  0.89940775  1.0
  Ni  Ni15  1  0.10059225  0.10059225  0.10059225  1.0
  P  P16  1  0.00000000  0.00000000  0.50000000  1.0
  P  P17  1  0.50000000  0.00000000  0.00000000  1.0
  P  P18  1  0.00000000  0.50000000  0.00000000  1.0
  H  H19  1  0.50000000  0.50000000  0.00000000  1.0
  H  H20  1  0.00000000  0.50000000  0.50000000  1.0
  H  H21  1  0.50000000  0.00000000  0.50000000  1.0