# generated using pymatgen
data_Th2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97426538
_cell_length_b   4.97426538
_cell_length_c   24.76198800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Ni7
_chemical_formula_sum   'Th8 Ni28'
_cell_volume   530.60834859
_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  0.33333300  0.66666700  0.17566500  1.0
  Th  Th1  1  0.66666700  0.33333300  0.67566500  1.0
  Th  Th2  1  0.66666700  0.33333300  0.82433500  1.0
  Th  Th3  1  0.33333300  0.66666700  0.32433500  1.0
  Th  Th4  1  0.33333300  0.66666700  0.03195200  1.0
  Th  Th5  1  0.66666700  0.33333300  0.53195200  1.0
  Th  Th6  1  0.66666700  0.33333300  0.96804800  1.0
  Th  Th7  1  0.33333300  0.66666700  0.46804800  1.0
  Ni  Ni8  1  0.83342300  0.66684600  0.25000000  1.0
  Ni  Ni9  1  0.16657700  0.33315400  0.75000000  1.0
  Ni  Ni10  1  0.33315400  0.16657700  0.25000000  1.0
  Ni  Ni11  1  0.83342300  0.16657700  0.25000000  1.0
  Ni  Ni12  1  0.16657700  0.83342300  0.75000000  1.0
  Ni  Ni13  1  0.66684600  0.83342300  0.75000000  1.0
  Ni  Ni14  1  0.83278300  0.66556700  0.08553900  1.0
  Ni  Ni15  1  0.16721700  0.33443300  0.58553900  1.0
  Ni  Ni16  1  0.33443300  0.16721700  0.08553900  1.0
  Ni  Ni17  1  0.83278300  0.16721700  0.08553900  1.0
  Ni  Ni18  1  0.16721700  0.83278300  0.58553900  1.0
  Ni  Ni19  1  0.66556700  0.83278300  0.58553900  1.0
  Ni  Ni20  1  0.16721700  0.33443300  0.91446100  1.0
  Ni  Ni21  1  0.16721700  0.83278300  0.91446100  1.0
  Ni  Ni22  1  0.66556700  0.83278300  0.91446100  1.0
  Ni  Ni23  1  0.33443300  0.16721700  0.41446100  1.0
  Ni  Ni24  1  0.83278300  0.16721700  0.41446100  1.0
  Ni  Ni25  1  0.83278300  0.66556700  0.41446100  1.0
  Ni  Ni26  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni27  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni28  1  0.00000000  0.00000000  0.16737600  1.0
  Ni  Ni29  1  0.00000000  0.00000000  0.66737600  1.0
  Ni  Ni30  1  0.00000000  0.00000000  0.83262400  1.0
  Ni  Ni31  1  0.00000000  0.00000000  0.33262400  1.0
  Ni  Ni32  1  0.33333300  0.66666700  0.83247500  1.0
  Ni  Ni33  1  0.66666700  0.33333300  0.33247500  1.0
  Ni  Ni34  1  0.66666700  0.33333300  0.16752500  1.0
  Ni  Ni35  1  0.33333300  0.66666700  0.66752500  1.0