# generated using pymatgen
data_Th3In13Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65744300
_cell_length_b   9.65744300
_cell_length_c   9.65744300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3In13Ni4
_chemical_formula_sum   'Th6 In26 Ni8'
_cell_volume   900.71306149
_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  0.25000000  0.00000000  0.50000000  1.0
  Th  Th1  1  0.75000000  0.00000000  0.50000000  1.0
  Th  Th2  1  0.50000000  0.25000000  0.00000000  1.0
  Th  Th3  1  0.50000000  0.75000000  0.00000000  1.0
  Th  Th4  1  0.00000000  0.50000000  0.25000000  1.0
  Th  Th5  1  0.00000000  0.50000000  0.75000000  1.0
  In  In6  1  0.00000000  0.00000000  0.00000000  1.0
  In  In7  1  0.50000000  0.50000000  0.50000000  1.0
  In  In8  1  0.00000000  0.15546300  0.30450500  1.0
  In  In9  1  0.00000000  0.84453700  0.69549500  1.0
  In  In10  1  0.00000000  0.84453700  0.30450500  1.0
  In  In11  1  0.00000000  0.15546300  0.69549500  1.0
  In  In12  1  0.30450500  0.00000000  0.15546300  1.0
  In  In13  1  0.65546300  0.50000000  0.19549500  1.0
  In  In14  1  0.69549500  0.00000000  0.84453700  1.0
  In  In15  1  0.34453700  0.50000000  0.80450500  1.0
  In  In16  1  0.30450500  0.00000000  0.84453700  1.0
  In  In17  1  0.34453700  0.50000000  0.19549500  1.0
  In  In18  1  0.69549500  0.00000000  0.15546300  1.0
  In  In19  1  0.65546300  0.50000000  0.80450500  1.0
  In  In20  1  0.15546300  0.30450500  0.00000000  1.0
  In  In21  1  0.50000000  0.80450500  0.34453700  1.0
  In  In22  1  0.84453700  0.69549500  0.00000000  1.0
  In  In23  1  0.50000000  0.19549500  0.65546300  1.0
  In  In24  1  0.15546300  0.69549500  0.00000000  1.0
  In  In25  1  0.50000000  0.19549500  0.34453700  1.0
  In  In26  1  0.84453700  0.30450500  0.00000000  1.0
  In  In27  1  0.50000000  0.80450500  0.65546300  1.0
  In  In28  1  0.19549500  0.65546300  0.50000000  1.0
  In  In29  1  0.80450500  0.34453700  0.50000000  1.0
  In  In30  1  0.19549500  0.34453700  0.50000000  1.0
  In  In31  1  0.80450500  0.65546300  0.50000000  1.0
  Ni  Ni32  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni33  1  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni34  1  0.75000000  0.75000000  0.25000000  1.0
  Ni  Ni35  1  0.75000000  0.25000000  0.75000000  1.0
  Ni  Ni36  1  0.25000000  0.25000000  0.75000000  1.0
  Ni  Ni37  1  0.25000000  0.75000000  0.25000000  1.0
  Ni  Ni38  1  0.25000000  0.75000000  0.75000000  1.0
  Ni  Ni39  1  0.75000000  0.25000000  0.25000000  1.0