[CIF]
data_ThTl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33721657
_cell_length_b   5.33721657
_cell_length_c   5.33721657
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTl2As
_chemical_formula_sum   'Th1 Tl2 As1'
_cell_volume   107.50520197
_cell_formula_units_Z   1
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
  As  As0  1  0.00000000  0.00000000  0.00000000  1
  Th  Th1  1  3.77398203  3.77398203  3.77398203  1
  Tl  Tl2  1  1.88699101  1.88699102  1.88699101  1
  Tl  Tl3  1  5.66097305  5.66097305  5.66097305  1
[/CIF]
