data_LaTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.85
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Mo
_chemical_formula_sum   'La1 Tl2 Mo1'
_cell_volume   100.8
_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
  La  La0  1  0.65  0.0  0.85  1.0
  Tl  Tl2  1  0.81  0.0  0.48  1.0
  Tl  Tl3  1  0.5  0.0  0.22  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_LaTl2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.56
_cell_length_c   5.85
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Mo
_chemical_formula_sum   'La1 Tl2 Mo1'
_cell_volume   100.8
_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
  La  La0  1  0.0  0.35  0.15  1.0
  Tl  Tl1  1  0.0  0.19  0.52  1.0
  Tl  Tl2  1  0.0  0.5  0.78  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

La Tl Tl Mo