data_Ta2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   148.96
_cell_angle_beta   128.84
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlRh
_chemical_formula_sum   'Ta2 Tl1 Rh1'
_cell_volume   74.16
_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  0.0  0.47  0.78  1.0
  Ta  Ta2  1  0.0  0.0  0.26  1.0
  Tl  Tl3  1  0.0  0.47  0.16  1.0
  Rh  Rh0  1  0.0  0.0  0.56  1.0

data_Ta2TlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.93
_cell_length_c   5.71
_cell_angle_alpha   115.58
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlRh
_chemical_formula_sum   'Ta2 Tl1 Rh1'
_cell_volume   74.16
_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  0.22  0.69  0.69  1.0
  Ta  Ta1  1  0.74  0.74  0.74  1.0
  Tl  Tl2  1  0.84  0.31  0.31  1.0
  Rh  Rh3  1  0.44  0.44  0.44  1.0

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