# generated using pymatgen
data_Y3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28908082
_cell_length_b   7.28907693
_cell_length_c   5.82589020
_cell_angle_alpha   90.00000836
_cell_angle_beta   89.99999685
_cell_angle_gamma   120.00000555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Th
_chemical_formula_sum   'Y6 Th2'
_cell_volume   268.06381987
_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  0.16814110  0.33626523  0.25000205  1.0
  Y  Y1  1  0.66373677  0.83185763  0.25000197  1.0
  Y  Y2  1  0.16812837  0.83186801  0.25000196  1.0
  Y  Y3  1  0.83186623  0.66371463  0.74999914  1.0
  Y  Y4  1  0.33628420  0.16813505  0.74999920  1.0
  Y  Y5  1  0.83185756  0.16814466  0.74999907  1.0
  Th  Th6  1  0.33332663  0.66667068  0.75000862  1.0
  Th  Th7  1  0.66666215  0.33334212  0.24999199  1.0