data_Tl3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   116.87
_cell_angle_beta   116.87
_cell_angle_gamma   116.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Mo
_chemical_formula_sum   'Tl3 Mo1'
_cell_volume   93.72
_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  Tl1  1  0.48  0.54  0.06  1.0
  Tl  Tl2  1  0.52  0.54  0.06  1.0
  Tl  Tl3  1  0.0  0.92  0.06  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Tl3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   116.87
_cell_angle_beta   100.32
_cell_angle_gamma   100.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Mo
_chemical_formula_sum   'Tl3 Mo1'
_cell_volume   93.72
_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  Tl0  1  0.06  0.06  0.15  1.0
  Tl  Tl1  1  0.06  0.59  0.52  1.0
  Tl  Tl2  1  0.06  0.54  0.52  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Tl Tl Tl Mo