data_SrTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.65
_cell_angle_alpha   90.0
_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   108.57
_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  0.0  0.42  0.33  1.0
  Tl  Tl3  1  0.42  0.0  0.33  1.0
  Mo  Mo0  1  0.42  0.42  0.0  1.0

data_SrTl2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Mo
_chemical_formula_sum   'Sr2 Tl4 Mo2'
_cell_volume   217.15
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.21  0.21  0.33  1.0
  Mo  Mo2  2  0.42  0.0  -0.0  1.0

Sr Tl Tl Mo
Sr Tl Tl Mo 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
SrMoTl2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1) and six equivalent Tl(1) atoms. There are a spread of Sr(1)-Mo(1) bond distances ranging from 2.84-3.99 Å. There are a spread of Sr(1)-Tl(1) bond distances ranging from 2.52-3.72 Å. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1) and six equivalent Tl(1) atoms. There are a spread of Mo(1)-Tl(1) bond distances ranging from 2.52-3.72 Å. Tl(1) is bonded in a 2-coordinate geometry to three equivalent Sr(1) and three equivalent Mo(1) atoms.