data_YTlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.45
_cell_length_c   3.1
_cell_angle_alpha   80.67
_cell_angle_beta   75.58
_cell_angle_gamma   23.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlW
_chemical_formula_sum   'Y1 Tl1 W1'
_cell_volume   67.39
_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
  Y  Y2  1  0.93  0.42  0.74  1.0
  Tl  Tl0  1  0.93  0.42  0.25  1.0
  W  W1  1  0.93  0.42  0.8  1.0

data_YTlW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   14.39
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   128.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTlW
_chemical_formula_sum   'Y2 Tl2 W2'
_cell_volume   134.78
_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
  Y  Y0  2  0.24  0.5  0.67  1.0
  Tl  Tl1  2  0.25  0.0  0.18  1.0
  W  W2  2  0.3  0.5  0.73  1.0

Y Tl W
Y Tl W 0 2 o o o 0 1 o o + 0 1 o o o 1 2 o o - 1 2 o o o 