data_SrTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.78
_cell_length_c   3.13
_cell_angle_alpha   79.45
_cell_angle_beta   77.45
_cell_angle_gamma   23.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlMo
_chemical_formula_sum   'Sr1 Tl1 Mo1'
_cell_volume   72.89
_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  0.11  0.31  0.89  1.0
  Tl  Tl2  1  0.11  0.31  0.21  1.0
  Mo  Mo0  1  0.11  0.31  0.83  1.0

data_SrTlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.22
_cell_length_b   14.97
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   132.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTlMo
_chemical_formula_sum   'Sr2 Tl2 Mo2'
_cell_volume   145.78
_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
  Sr  Sr0  2  0.19  0.5  1.0  1.0
  Tl  Tl1  2  0.37  0.0  0.68  1.0
  Mo  Mo2  2  0.25  0.5  0.06  1.0

Sr Tl Mo