# generated using pymatgen
data_Th2Co9NiP6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94754723
_cell_length_b   5.94754654
_cell_length_c   11.30580801
_cell_angle_alpha   90.15734116
_cell_angle_beta   89.84265798
_cell_angle_gamma   144.87230972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Co9NiP6
_chemical_formula_sum   'Th2 Co9 Ni1 P6'
_cell_volume   230.11548936
_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  0.33788099  0.66211901  0.24723761  1.0
  Th  Th1  1  0.66211901  0.33788099  0.75276239  1.0
  Co  Co2  1  0.05188950  0.94811050  0.14301652  1.0
  Co  Co3  1  0.04932666  0.95067334  0.35907378  1.0
  Co  Co4  1  0.69865790  0.30134210  0.42878638  1.0
  Co  Co5  1  0.30134210  0.69865790  0.57121362  1.0
  Co  Co6  1  0.30073548  0.69926452  0.92897874  1.0
  Co  Co7  1  0.69926452  0.30073548  0.07102126  1.0
  Co  Co8  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co9  1  0.95067334  0.04932666  0.64092622  1.0
  Co  Co10  1  0.94811050  0.05188950  0.85698348  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.50000000  1.0
  P  P12  1  0.60979399  0.39020601  0.25041314  1.0
  P  P13  1  0.39020601  0.60979399  0.74958686  1.0
  P  P14  1  0.11931538  0.88068462  0.53730593  1.0
  P  P15  1  0.88068462  0.11931538  0.46269407  1.0
  P  P16  1  0.88320350  0.11679650  0.03681674  1.0
  P  P17  1  0.11679650  0.88320350  0.96318326  1.0