data_Tl2InMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25
_cell_length_b   10.25
_cell_length_c   10.25
_cell_angle_alpha   18.41
_cell_angle_beta   18.41
_cell_angle_gamma   18.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InMo
_chemical_formula_sum   'Tl2 In1 Mo1'
_cell_volume   93.96
_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  0.0  0.0  0.81  1.0
  Tl  Tl3  1  0.0  0.0  0.43  1.0
  In  In0  1  0.0  0.0  0.12  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Tl2InMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   3.28
_cell_length_c   10.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2InMo
_chemical_formula_sum   'Tl4 In2 Mo2'
_cell_volume   187.92
_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
  Tl  Tl0  2  -0.0  0.0  0.57  1.0
  Tl  Tl1  2  0.0  0.0  0.19  1.0
  In  In2  2  0.0  0.0  0.88  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Tl Tl In Mo
Tl Tl In Mo 0 3 o o + 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o o 