data_TiTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.02
_cell_length_c   3.0
_cell_angle_alpha   82.11
_cell_angle_beta   73.65
_cell_angle_gamma   24.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlMo
_chemical_formula_sum   'Ti1 Tl1 Mo1'
_cell_volume   57.41
_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
  Ti  Ti1  1  0.7  0.48  0.73  1.0
  Tl  Tl2  1  0.7  0.48  0.06  1.0
  Mo  Mo0  1  0.7  0.48  0.46  1.0

data_TiTlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.4
_cell_length_b   13.62
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   124.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTlMo
_chemical_formula_sum   'Ti2 Tl2 Mo2'
_cell_volume   114.82
_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
  Ti  Ti0  2  0.2  0.5  0.43  1.0
  Tl  Tl1  2  0.2  0.5  0.76  1.0
  Mo  Mo2  2  0.2  0.5  0.16  1.0

Ti Tl Mo
Ti Tl Mo 0 2 o o o 0 1 o o + 1 2 o o o 