data_TlGeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.1
_cell_angle_alpha   107.12
_cell_angle_beta   107.12
_cell_angle_gamma   37.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeW2
_chemical_formula_sum   'Tl1 Ge1 W2'
_cell_volume   75.58
_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  0.24  0.0  0.79  1.0
  Ge  Ge0  1  0.95  0.0  0.08  1.0
  W  W2  1  0.23  0.0  0.1  1.0
  W  W3  1  0.56  0.0  0.3  1.0

data_TlGeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.05
_cell_length_c   5.1
_cell_angle_alpha   107.12
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeW2
_chemical_formula_sum   'Tl1 Ge1 W2'
_cell_volume   75.58
_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  0.76  0.21  1.0
  Ge  Ge1  1  0.0  0.05  0.92  1.0
  W  W2  1  0.0  0.44  0.7  1.0
  W  W3  1  0.0  0.77  0.9  1.0

Tl Ge W W