# generated using pymatgen
data_Th3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66909862
_cell_length_b   6.66909862
_cell_length_c   5.73065400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Mo
_chemical_formula_sum   'Th6 Mo2'
_cell_volume   220.73391777
_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  0.82377800  0.17622200  0.75000000  1.0
  Th  Th1  1  0.35244500  0.17622200  0.75000000  1.0
  Th  Th2  1  0.82377800  0.64755500  0.75000000  1.0
  Th  Th3  1  0.17622200  0.82377800  0.25000000  1.0
  Th  Th4  1  0.64755500  0.82377800  0.25000000  1.0
  Th  Th5  1  0.17622200  0.35244500  0.25000000  1.0
  Mo  Mo6  1  0.66666700  0.33333300  0.25000000  1.0
  Mo  Mo7  1  0.33333300  0.66666700  0.75000000  1.0