data_TlBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBi2Mo
_chemical_formula_sum   'Tl1 Bi2 Mo1'
_cell_volume   105.76
_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
  Tl  Tl3  1  0.34  0.0  0.0  1.0
  Bi  Bi0  1  0.67  0.74  0.75  1.0
  Bi  Bi1  1  0.67  0.26  0.75  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_TlBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   107.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBi2Mo
_chemical_formula_sum   'Tl1 Bi2 Mo1'
_cell_volume   105.76
_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
  Tl  Tl0  1  0.0  0.34  0.0  1.0
  Bi  Bi1  1  0.75  0.67  0.26  1.0
  Bi  Bi2  1  0.75  0.67  0.74  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Tl Bi Bi Mo