data_Ta2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlRh
_chemical_formula_sum   'Ta2 Tl1 Rh1'
_cell_volume   74.22
_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  0.49  0.49  0.23  1.0
  Ta  Ta2  1  0.0  0.0  0.96  1.0
  Tl  Tl3  1  0.49  0.49  0.37  1.0
  Rh  Rh0  1  0.0  0.0  0.47  1.0

data_Ta2TlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2TlRh
_chemical_formula_sum   'Ta4 Tl2 Rh2'
_cell_volume   148.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.96  1.0
  Ta  Ta1  2  0.49  0.0  0.23  1.0
  Tl  Tl2  2  0.49  0.0  0.37  1.0
  Rh  Rh3  2  0.0  0.0  0.47  1.0

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