data_La2TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   112.77
_cell_angle_beta   112.77
_cell_angle_gamma   103.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMo
_chemical_formula_sum   'La2 Ti1 Mo1'
_cell_volume   92.04
_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  0.74  0.0  0.54  1.0
  La  La1  1  0.0  0.0  0.07  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.74  0.54  1.0

data_La2TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   103.05
_cell_angle_beta   112.77
_cell_angle_gamma   112.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiMo
_chemical_formula_sum   'La2 Ti1 Mo1'
_cell_volume   92.04
_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  0.07  0.07  0.07  1.0
  La  La1  1  0.54  0.8  0.54  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.54  0.54  0.8  1.0

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