data_LaSbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbMo
_chemical_formula_sum   'La1 Sb1 Mo1'
_cell_volume   78.12
_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  0.34  0.35  0.05  1.0
  Sb  Sb2  1  0.0  0.71  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_LaSbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbMo
_chemical_formula_sum   'La1 Sb1 Mo1'
_cell_volume   78.12
_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  0.05  0.34  0.35  1.0
  Sb  Sb1  1  -0.0  0.0  0.71  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

La Sb Mo
La Sb Mo 0 2 o o o 1 2 o + o 