data_Tl2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.34
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbMo
_chemical_formula_sum   'Tl2 Sb1 Mo1'
_cell_volume   100.27
_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  Tl2  1  0.21  0.0  0.93  1.0
  Tl  Tl3  1  0.7  0.67  0.69  1.0
  Sb  Sb1  1  0.7  0.67  0.13  1.0
  Mo  Mo0  1  0.02  0.0  0.66  1.0

data_Tl2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.35
_cell_length_c   8.96
_cell_angle_alpha   90.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SbMo
_chemical_formula_sum   'Tl2 Sb1 Mo1'
_cell_volume   100.27
_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  0.79  0.07  1.0
  Tl  Tl1  1  0.33  0.3  0.31  1.0
  Sb  Sb2  1  0.33  0.3  0.87  1.0
  Mo  Mo3  1  0.0  0.98  0.34  1.0

Tl Tl Sb Mo