data_Tl2RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RhW
_chemical_formula_sum   'Tl2 Rh1 W1'
_cell_volume   75.2
_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  Tl1  1  0.72  0.75  0.57  1.0
  Tl  Tl2  1  0.72  0.25  0.57  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.43  0.0  0.0  1.0

data_Tl2RhW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2RhW
_chemical_formula_sum   'Tl2 Rh1 W1'
_cell_volume   75.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.57  0.25  0.72  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.43  1.0

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