# generated using pymatgen
data_ThZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38999879
_cell_length_b   3.38999879
_cell_length_c   7.23209450
_cell_angle_alpha   103.24324571
_cell_angle_beta   103.24324571
_cell_angle_gamma   91.29240467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThZr2
_chemical_formula_sum   'Th1 Zr2'
_cell_volume   78.50284461
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.67347300  0.67347300  0.34694500  1.0
  Zr  Zr2  1  0.32652700  0.32652700  0.65305500  1.0