data_LaAlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlMo2
_chemical_formula_sum   'La1 Al1 Mo2'
_cell_volume   76.66
_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  La1  1  0.06  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.53  0.72  0.38  1.0
  Mo  Mo3  1  0.53  0.28  0.38  1.0

data_LaAlMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   112.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlMo2
_chemical_formula_sum   'La1 Al1 Mo2'
_cell_volume   76.66
_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  0.06  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.38  0.53  0.28  1.0
  Mo  Mo3  1  0.38  0.53  0.72  1.0

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