data_La2TlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34
_cell_length_b   10.34
_cell_length_c   10.34
_cell_angle_alpha   20.18
_cell_angle_beta   20.18
_cell_angle_gamma   20.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlMo
_chemical_formula_sum   'La2 Tl1 Mo1'
_cell_volume   114.99
_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  0.0  0.98  1.0
  La  La1  1  0.0  0.0  0.39  1.0
  Tl  Tl3  1  0.0  0.0  0.18  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_La2TlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   3.62
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlMo
_chemical_formula_sum   'La4 Tl2 Mo2'
_cell_volume   229.99
_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
  La  La0  2  -0.0  0.0  0.02  1.0
  La  La1  2  0.0  0.0  0.61  1.0
  Tl  Tl2  2  -0.0  0.0  0.82  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

La La Tl Mo