data_TaTl2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   133.61
_cell_angle_beta   133.61
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Si
_chemical_formula_sum   'Ta1 Tl2 Si1'
_cell_volume   83.14
_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
  Ta  Ta1  1  0.14  0.0  0.26  1.0
  Tl  Tl2  1  0.0  0.0  0.52  1.0
  Tl  Tl3  1  0.0  0.14  0.26  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_TaTl2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.44
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Si
_chemical_formula_sum   'Ta1 Tl2 Si1'
_cell_volume   83.14
_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
  Ta  Ta0  1  0.74  0.0  0.88  1.0
  Tl  Tl1  1  0.48  0.0  0.48  1.0
  Tl  Tl2  1  0.88  0.14  0.88  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Tl Tl Si