# generated using pymatgen
data_YThRe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41099154
_cell_length_b   5.41099154
_cell_length_c   9.18508300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YThRe4
_chemical_formula_sum   'Y2 Th2 Re8'
_cell_volume   232.89890745
_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
  Y  Y0  1  0.66666700  0.33333300  0.93722500  1.0
  Y  Y1  1  0.33333300  0.66666700  0.06277500  1.0
  Th  Th2  1  0.33333300  0.66666700  0.43980500  1.0
  Th  Th3  1  0.66666700  0.33333300  0.56019500  1.0
  Re  Re4  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re5  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re6  1  0.83004200  0.16995800  0.24227100  1.0
  Re  Re7  1  0.83004200  0.66008500  0.24227100  1.0
  Re  Re8  1  0.33991500  0.16995800  0.24227100  1.0
  Re  Re9  1  0.16995800  0.83004200  0.75772900  1.0
  Re  Re10  1  0.16995800  0.33991500  0.75772900  1.0
  Re  Re11  1  0.66008500  0.83004200  0.75772900  1.0