# generated using pymatgen
data_Y3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89422942
_cell_length_b   6.89422766
_cell_length_c   5.66980629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tl
_chemical_formula_sum   'Y6 Tl2'
_cell_volume   233.38356283
_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  0.17086003  0.34171161  0.25000000  1.0
  Y  Y1  1  0.65828770  0.82914119  0.25000000  1.0
  Y  Y2  1  0.17085684  0.82914614  0.25000000  1.0
  Y  Y3  1  0.82913997  0.65828839  0.75000000  1.0
  Y  Y4  1  0.34171230  0.17085881  0.75000000  1.0
  Y  Y5  1  0.82914316  0.17085386  0.75000000  1.0
  Tl  Tl6  1  0.33333736  0.66666568  0.75000000  1.0
  Tl  Tl7  1  0.66666264  0.33333432  0.25000000  1.0