data_TaTl2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.51
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Si
_chemical_formula_sum   'Ta1 Tl2 Si1'
_cell_volume   85.64
_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  0.46  0.0  0.53  1.0
  Tl  Tl2  1  0.19  0.75  0.8  1.0
  Tl  Tl3  1  0.73  0.75  0.27  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   3.07
_cell_length_b   5.07
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Si
_chemical_formula_sum   'Ta1 Tl2 Si1'
_cell_volume   85.64
_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  0.54  0.47  0.0  1.0
  Tl  Tl1  1  0.27  0.73  0.25  1.0
  Tl  Tl2  1  0.81  0.2  0.25  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ta Tl Tl Si