data_TlRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.65
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRh2Au
_chemical_formula_sum   'Tl1 Rh2 Au1'
_cell_volume   70.13
_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  0.36  0.0  0.56  1.0
  Rh  Rh1  1  0.13  0.32  0.23  1.0
  Rh  Rh2  1  0.59  0.32  0.88  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_TlRh2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.65
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRh2Au
_chemical_formula_sum   'Tl1 Rh2 Au1'
_cell_volume   70.13
_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  0.36  0.0  0.56  1.0
  Rh  Rh1  1  0.13  0.32  0.23  1.0
  Rh  Rh2  1  0.59  0.32  0.88  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Tl Rh Rh Au
Tl Rh Rh Au 0 1 o o o 0 3 o o + 0 3 + o + 0 2 o o o 1 3 o o o 1 2 - o - 1 2 o o - 2 3 o o + 2 3 + o + 