data_TlGaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaRh2
_chemical_formula_sum   'Tl1 Ga1 Rh2'
_cell_volume   70.67
_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
  Tl  Tl3  1  0.94  0.0  0.4  1.0
  Ga  Ga0  1  0.0  0.0  0.58  1.0
  Rh  Rh1  1  0.94  0.0  0.1  1.0
  Rh  Rh2  1  0.0  0.0  0.63  1.0

data_TlGaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaRh2
_chemical_formula_sum   'Tl1 Ga1 Rh2'
_cell_volume   70.67
_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
  Tl  Tl0  1  0.94  0.0  0.4  1.0
  Ga  Ga1  1  0.0  0.0  0.58  1.0
  Rh  Rh2  1  0.0  0.0  0.63  1.0
  Rh  Rh3  1  0.94  0.0  0.1  1.0

Tl Ga Rh Rh
Tl Ga Rh Rh 0 1 + o o 0 2 o o o 1 3 o o o 2 2 o + o 2 2 + o o 