data_Tl2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.06
_cell_angle_alpha   95.86
_cell_angle_beta   95.86
_cell_angle_gamma   30.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeW
_chemical_formula_sum   'Tl2 Ge1 W1'
_cell_volume   85.18
_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  0.35  0.0  0.29  1.0
  Tl  Tl2  1  0.22  0.0  0.75  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.29  0.0  0.52  1.0

data_Tl2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.06
_cell_length_c   5.76
_cell_angle_alpha   95.86
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeW
_chemical_formula_sum   'Tl2 Ge1 W1'
_cell_volume   85.18
_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  0.29  0.35  1.0
  Tl  Tl1  1  0.0  0.75  0.22  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.52  0.29  1.0

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