data_NaTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.03
_cell_length_c   2.91
_cell_angle_alpha   81.7
_cell_angle_beta   77.59
_cell_angle_gamma   20.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlMo
_chemical_formula_sum   'Na1 Tl1 Mo1'
_cell_volume   64.73
_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
  Na  Na1  1  0.84  0.25  0.37  1.0
  Tl  Tl2  1  0.84  0.25  0.35  1.0
  Mo  Mo0  1  0.84  0.25  0.55  1.0

data_NaTlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.67
_cell_length_b   15.64
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   129.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTlMo
_chemical_formula_sum   'Na2 Tl2 Mo2'
_cell_volume   129.47
_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
  Na  Na0  2  0.04  0.5  0.79  1.0
  Tl  Tl1  2  0.06  0.5  0.82  1.0
  Mo  Mo2  2  0.36  0.0  0.61  1.0

Na Tl Mo
Na Tl Mo 0 1 o o o 0 2 o o o 1 2 o o o 