data_YTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   135.41
_cell_angle_beta   135.41
_cell_angle_gamma   64.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2W
_chemical_formula_sum   'Y1 Tl2 W1'
_cell_volume   92.59
_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  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl0  1  0.18  0.0  0.43  1.0
  Tl  Tl1  1  0.0  0.0  0.86  1.0
  W  W2  1  0.0  0.18  0.43  1.0

data_YTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.75
_cell_angle_alpha   112.3
_cell_angle_beta   112.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2W
_chemical_formula_sum   'Y1 Tl2 W1'
_cell_volume   92.59
_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  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.14  0.0  0.14  1.0
  Tl  Tl2  1  0.57  0.0  0.76  1.0
  W  W3  1  0.76  0.18  0.76  1.0

Y Tl Tl W
Y Tl Tl W 0 2 o o - 1 3 o o o 