data_TlMoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.55
_cell_length_c   3.11
_cell_angle_alpha   84.8
_cell_angle_beta   74.64
_cell_angle_gamma   20.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMoCl
_chemical_formula_sum   'Tl1 Mo1 Cl1'
_cell_volume   70.42
_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  0.55  0.7  0.17  1.0
  Mo  Mo1  1  0.55  0.7  0.94  1.0
  Cl  Cl0  1  0.55  0.7  0.7  1.0

data_TlMoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.1
_cell_length_b   16.81
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   119.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlMoCl
_chemical_formula_sum   'Tl2 Mo2 Cl2'
_cell_volume   140.85
_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  0.2  0.5  0.27  1.0
  Mo  Mo1  2  0.2  0.5  0.5  1.0
  Cl  Cl2  2  0.2  0.5  0.75  1.0

Tl Mo Cl