# generated using pymatgen
data_Y3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44244673
_cell_length_b   6.44244673
_cell_length_c   10.50658173
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.71986490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tl5
_chemical_formula_sum   'Y6 Tl10'
_cell_volume   426.98579584
_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  0.20429152  0.79570848  0.00000000  1.0
  Y  Y1  1  0.79570848  0.20429152  0.00000000  1.0
  Y  Y2  1  0.79570848  0.20429152  0.50000000  1.0
  Y  Y3  1  0.20429152  0.79570848  0.50000000  1.0
  Y  Y4  1  0.61728257  0.61728257  0.25000000  1.0
  Y  Y5  1  0.38271743  0.38271743  0.75000000  1.0
  Tl  Tl6  1  0.51383160  0.07315041  0.25000000  1.0
  Tl  Tl7  1  0.48616840  0.92684959  0.75000000  1.0
  Tl  Tl8  1  0.07315041  0.51383160  0.25000000  1.0
  Tl  Tl9  1  0.92684959  0.48616840  0.75000000  1.0
  Tl  Tl10  1  0.00622916  0.00622916  0.25000000  1.0
  Tl  Tl11  1  0.99377084  0.99377084  0.75000000  1.0
  Tl  Tl12  1  0.30500113  0.30500113  0.03874083  1.0
  Tl  Tl13  1  0.69499887  0.69499887  0.96125917  1.0
  Tl  Tl14  1  0.69499887  0.69499887  0.53874083  1.0
  Tl  Tl15  1  0.30500113  0.30500113  0.46125917  1.0