data_Tl2MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.28
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   34.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoW
_chemical_formula_sum   'Tl2 Mo1 W1'
_cell_volume   77.49
_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  0.74  0.0  0.9  1.0
  Tl  Tl2  1  0.09  0.0  0.3  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.42  0.0  0.6  1.0

data_Tl2MoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.12
_cell_length_c   5.28
_cell_angle_alpha   99.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoW
_chemical_formula_sum   'Tl2 Mo1 W1'
_cell_volume   77.49
_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  0.0  0.26  0.1  1.0
  Tl  Tl1  1  0.0  0.91  0.7  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.58  0.4  1.0

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