data_LaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMo
_chemical_formula_sum   'La2 Mo2'
_cell_volume   99.16
_cell_formula_units_Z   2
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  0.92  0.66  1.0
  La  La1  1  0.66  0.96  0.74  1.0
  Mo  Mo2  1  0.0  0.92  0.37  1.0
  Mo  Mo3  1  0.66  0.96  0.03  1.0

data_LaMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaMo
_chemical_formula_sum   'La2 Mo2'
_cell_volume   99.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.33  0.52  0.54  1.0
  Mo  Mo1  2  0.33  0.52  0.83  1.0

La La Mo Mo