# generated using pymatgen
data_ThAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95620400
_cell_length_b   6.95620348
_cell_length_c   4.03296524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAlCo
_chemical_formula_sum   'Th3 Al3 Co3'
_cell_volume   169.00502068
_cell_formula_units_Z   3
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  0.57832294  0.00000000  -0.00000000  1.0
  Th  Th1  1  0.00000000  0.57832294  -0.00000000  1.0
  Th  Th2  1  0.42167806  0.42167806  0.00000000  1.0
  Al  Al3  1  0.22475245  0.00000000  0.50000000  1.0
  Al  Al4  1  0.99999900  0.22475245  0.50000000  1.0
  Al  Al5  1  0.77524755  0.77524755  0.50000000  1.0
  Co  Co6  1  0.33333300  0.66666800  0.50000000  1.0
  Co  Co7  1  0.66666700  0.33333300  0.50000000  1.0
  Co  Co8  1  0.00000000  0.00000000  -0.00000000  1.0