data_YTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlMo
_chemical_formula_sum   'Y1 Tl1 Mo1'
_cell_volume   68.39
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.9  0.57  1.0
  Mo  Mo0  1  0.51  0.45  0.57  1.0

data_YTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlMo
_chemical_formula_sum   'Y1 Tl1 Mo1'
_cell_volume   68.39
_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  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.57  0.0  0.9  1.0
  Mo  Mo2  1  0.57  0.51  0.45  1.0

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