data_SrTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Mo
_chemical_formula_sum   'Sr1 Tl2 Mo1'
_cell_volume   97.74
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.65  0.27  0.63  1.0
  Tl  Tl3  1  0.65  0.73  0.63  1.0
  Mo  Mo0  1  0.3  0.0  0.0  1.0

data_SrTl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   108.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Mo
_chemical_formula_sum   'Sr1 Tl2 Mo1'
_cell_volume   97.74
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.63  0.65  0.27  1.0
  Tl  Tl2  1  0.63  0.65  0.73  1.0
  Mo  Mo3  1  0.0  0.3  0.0  1.0

Sr Tl Tl Mo