data_Ta2TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.15
_cell_angle_alpha   100.75
_cell_angle_beta   100.75
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlAu
_chemical_formula_sum   'Ta2 Tl1 Au1'
_cell_volume   77.67
_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  0.25  0.0  0.16  1.0
  Ta  Ta2  1  0.77  0.0  0.89  1.0
  Tl  Tl3  1  0.51  0.0  0.52  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Ta2TlAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.15
_cell_length_c   5.24
_cell_angle_alpha   100.75
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlAu
_chemical_formula_sum   'Ta2 Tl1 Au1'
_cell_volume   77.67
_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  0.0  0.16  0.25  1.0
  Ta  Ta1  1  0.0  0.89  0.77  1.0
  Tl  Tl2  1  0.0  0.52  0.51  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Ta Ta Tl Au