data_Tl2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   3.19
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   119.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeMo
_chemical_formula_sum   'Tl2 Ge1 Mo1'
_cell_volume   86.24
_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  0.9  0.52  0.49  1.0
  Tl  Tl3  1  0.9  0.48  0.49  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.91  0.0  0.0  1.0

data_Tl2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.57
_cell_length_c   5.75
_cell_angle_alpha   115.31
_cell_angle_beta   100.21
_cell_angle_gamma   101.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeMo
_chemical_formula_sum   'Tl2 Ge1 Mo1'
_cell_volume   86.24
_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  0.01  0.52  0.42  1.0
  Tl  Tl1  1  0.97  0.48  0.38  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.91  1.0

Tl Tl Ge Mo