data_TlGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.99
_cell_angle_alpha   96.85
_cell_angle_beta   96.85
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Mo
_chemical_formula_sum   'Tl1 Ga2 Mo1'
_cell_volume   74.3
_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  1.0  0.0  0.72  1.0
  Ga  Ga0  1  0.03  0.0  0.02  1.0
  Ga  Ga1  1  0.65  0.0  0.34  1.0
  Mo  Mo2  1  0.75  0.0  0.35  1.0

data_TlGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.99
_cell_length_c   5.32
_cell_angle_alpha   96.85
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGa2Mo
_chemical_formula_sum   'Tl1 Ga2 Mo1'
_cell_volume   74.3
_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  0.0  0.72  1.0  1.0
  Ga  Ga1  1  0.0  0.02  0.03  1.0
  Ga  Ga2  1  0.0  0.34  0.65  1.0
  Mo  Mo3  1  0.0  0.35  0.75  1.0

Tl Ga Ga Mo