data_TlCo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   33.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Au
_chemical_formula_sum   'Tl1 Co2 Au1'
_cell_volume   65.08
_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
  Tl  Tl3  1  0.06  0.0  0.43  1.0
  Co  Co1  1  0.06  0.0  0.92  1.0
  Co  Co2  1  0.0  0.0  0.08  1.0
  Au  Au0  1  0.0  0.0  0.04  1.0

data_TlCo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.13
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Au
_chemical_formula_sum   'Tl1 Co2 Au1'
_cell_volume   65.08
_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
  Tl  Tl0  1  0.57  0.06  0.57  1.0
  Co  Co1  1  0.08  0.06  0.08  1.0
  Co  Co2  1  0.92  0.0  0.92  1.0
  Au  Au3  1  0.96  0.0  0.96  1.0

Tl Co Co Au