# generated using pymatgen
data_Th2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71498130
_cell_length_b   6.14804121
_cell_length_c   6.14804176
_cell_angle_alpha   77.52456238
_cell_angle_beta   62.30397222
_cell_angle_gamma   62.30396753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al
_chemical_formula_sum   'Th4 Al2'
_cell_volume   169.35295080
_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  0.15751409  0.50000000  0.18496983  1.0
  Th  Th1  1  0.34248591  0.81503017  0.50000000  1.0
  Th  Th2  1  0.65751409  0.18496983  0.50000000  1.0
  Th  Th3  1  0.84248591  0.50000000  0.81503017  1.0
  Al  Al4  1  0.25000000  0.00000000  -0.00000000  1.0
  Al  Al5  1  0.75000000  -0.00000000  -0.00000000  1.0