# generated using pymatgen
data_Th(Al2Cr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85313279
_cell_length_b   6.85313279
_cell_length_c   6.85313279
_cell_angle_alpha   97.72608549
_cell_angle_beta   97.72608549
_cell_angle_gamma   136.98081605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Al2Cr)4
_chemical_formula_sum   'Th1 Al8 Cr4'
_cell_volume   204.29413978
_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
  Al  Al1  1  0.50000000  0.27583200  0.77583200  1.0
  Al  Al2  1  0.27583200  0.50000000  0.77583200  1.0
  Al  Al3  1  0.72416800  0.50000000  0.22416800  1.0
  Al  Al4  1  0.50000000  0.72416800  0.22416800  1.0
  Al  Al5  1  0.00000000  0.34449700  0.34449700  1.0
  Al  Al6  1  0.00000000  0.65550300  0.65550300  1.0
  Al  Al7  1  0.65550300  0.00000000  0.65550300  1.0
  Al  Al8  1  0.34449700  0.00000000  0.34449700  1.0
  Cr  Cr9  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr10  1  0.00000000  0.50000000  0.00000000  1.0
  Cr  Cr11  1  0.50000000  0.00000000  0.00000000  1.0
  Cr  Cr12  1  0.50000000  0.50000000  0.50000000  1.0