data_LaTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.48
_cell_length_c   3.28
_cell_angle_alpha   81.57
_cell_angle_beta   73.54
_cell_angle_gamma   24.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlMo
_chemical_formula_sum   'La1 Tl1 Mo1'
_cell_volume   73.61
_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  0.9  0.68  0.25  1.0
  Tl  Tl2  1  0.9  0.68  0.57  1.0
  Mo  Mo1  1  0.9  0.68  0.65  1.0

data_LaTlMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   14.47
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   125.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTlMo
_chemical_formula_sum   'La2 Tl2 Mo2'
_cell_volume   147.22
_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  0.4  0.5  0.15  1.0
  Tl  Tl1  2  0.4  0.5  0.47  1.0
  Mo  Mo2  2  0.4  0.5  0.55  1.0

La Tl Mo
La Tl Mo 0 1 o o o 1 2 o o o 