# generated using pymatgen
data_BaTh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77578900
_cell_length_b   3.77578252
_cell_length_c   6.50980500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00004801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTh
_chemical_formula_sum   'Ba1 Th1'
_cell_volume   80.37353865
_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
  Ba  Ba0  1  0.66666600  0.33333200  0.75000000  1.0
  Th  Th1  1  0.33333400  0.66666800  0.25000000  1.0