data_TlMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   133.34
_cell_angle_beta   133.34
_cell_angle_gamma   68.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMoIr2
_chemical_formula_sum   'Tl1 Mo1 Ir2'
_cell_volume   66.08
_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  Tl3  1  0.0  0.99  0.08  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.99  0.0  0.08  1.0

data_TlMoIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   124.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlMoIr2
_chemical_formula_sum   'Tl2 Mo2 Ir4'
_cell_volume   132.17
_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  0.41  0.5  0.91  1.0
  Mo  Mo1  2  0.5  0.5  0.0  1.0
  Ir  Ir2  2  0.33  0.5  0.83  1.0
  Ir  Ir3  2  0.41  0.5  0.91  1.0

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