data_TlGaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.46
_cell_length_c   2.93
_cell_angle_alpha   82.0
_cell_angle_beta   75.63
_cell_angle_gamma   22.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaW
_chemical_formula_sum   'Tl1 Ga1 W1'
_cell_volume   59.53
_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  0.35  0.72  1.0
  Ga  Ga0  1  0.74  0.35  0.26  1.0
  W  W2  1  0.74  0.35  0.02  1.0

data_TlGaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.49
_cell_length_b   14.5
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   126.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGaW
_chemical_formula_sum   'Tl2 Ga2 W2'
_cell_volume   119.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.24  0.5  0.47  1.0
  Ga  Ga1  2  0.24  0.5  0.0  1.0
  W  W2  2  0.24  0.5  0.76  1.0

Tl Ga W
Tl Ga W 0 2 o o + 1 2 o o o 