# generated using pymatgen
data_Sc3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39113542
_cell_length_b   6.39113230
_cell_length_c   5.23929315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99996049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Tl
_chemical_formula_sum   'Sc6 Tl2'
_cell_volume   185.33580601
_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
  Sc  Sc0  1  0.16888368  0.33776203  0.25000000  1.0
  Sc  Sc1  1  0.66223602  0.83111722  0.25000000  1.0
  Sc  Sc2  1  0.16888172  0.83111911  0.25000000  1.0
  Sc  Sc3  1  0.83111590  0.66223685  0.75000000  1.0
  Sc  Sc4  1  0.33776475  0.16888321  0.75000000  1.0
  Sc  Sc5  1  0.83111947  0.16888004  0.75000000  1.0
  Tl  Tl6  1  0.33333303  0.66666501  0.75000000  1.0
  Tl  Tl7  1  0.66666744  0.33333252  0.25000000  1.0