data_La2TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.29
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   102.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMo
_chemical_formula_sum   'La2 Ti1 Mo1'
_cell_volume   100.56
_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  0.14  0.7  1.0
  La  La1  1  0.61  0.0  0.14  1.0
  Ti  Ti3  1  0.19  0.0  0.91  1.0
  Mo  Mo2  1  0.25  0.14  0.87  1.0

data_La2TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.29
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   102.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMo
_chemical_formula_sum   'La2 Ti1 Mo1'
_cell_volume   100.56
_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  0.61  0.0  0.14  1.0
  La  La1  1  0.65  0.14  0.7  1.0
  Ti  Ti2  1  0.19  0.0  0.91  1.0
  Mo  Mo3  1  0.25  0.14  0.87  1.0

La La Ti Mo
La La Ti Mo 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 1 3 o o - 1 2 o o - 2 3 o o o 