# generated using pymatgen
data_Nd3Tl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62560896
_cell_length_b   6.62560896
_cell_length_c   10.62745088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.77588876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Tl5
_chemical_formula_sum   'Nd6 Tl10'
_cell_volume   456.71229950
_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
  Nd  Nd0  1  0.62711579  0.62711579  0.25000000  1.0
  Nd  Nd1  1  0.37288421  0.37288421  0.75000000  1.0
  Nd  Nd2  1  0.79696777  0.20303223  0.50000000  1.0
  Nd  Nd3  1  0.79696777  0.20303223  0.00000000  1.0
  Nd  Nd4  1  0.20303223  0.79696777  0.50000000  1.0
  Nd  Nd5  1  0.20303223  0.79696777  0.00000000  1.0
  Tl  Tl6  1  0.00877612  0.00877612  0.25000000  1.0
  Tl  Tl7  1  0.99122388  0.99122388  0.75000000  1.0
  Tl  Tl8  1  0.30693419  0.30693419  0.04404570  1.0
  Tl  Tl9  1  0.69306581  0.69306581  0.95595430  1.0
  Tl  Tl10  1  0.30693419  0.30693419  0.45595430  1.0
  Tl  Tl11  1  0.69306581  0.69306581  0.54404570  1.0
  Tl  Tl12  1  0.07552886  0.50818983  0.25000000  1.0
  Tl  Tl13  1  0.49181017  0.92447114  0.75000000  1.0
  Tl  Tl14  1  0.92447114  0.49181017  0.75000000  1.0
  Tl  Tl15  1  0.50818983  0.07552886  0.25000000  1.0