data_YTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.31
_cell_length_c   3.16
_cell_angle_alpha   80.57
_cell_angle_beta   74.78
_cell_angle_gamma   24.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlMo
_chemical_formula_sum   'Y1 Tl1 Mo1'
_cell_volume   68.19
_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  0.94  0.49  0.85  1.0
  Tl  Tl1  1  0.94  0.49  0.22  1.0
  Mo  Mo0  1  0.94  0.49  0.01  1.0

data_YTlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   14.09
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   128.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTlMo
_chemical_formula_sum   'Y2 Tl2 Mo2'
_cell_volume   136.37
_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  0.44  0.5  0.8  1.0
  Tl  Tl1  2  0.44  0.5  0.17  1.0
  Mo  Mo2  2  0.44  0.5  0.96  1.0

Y Tl Mo
Y Tl Mo 0 2 o o + 1 2 o o o 