data_La2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   4.63
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La8 Mo4'
_cell_volume   326.08
_cell_formula_units_Z   4
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  0.19  0.16  0.67  1.0
  La  La1  1  0.32  0.16  0.09  1.0
  La  La2  1  0.54  0.47  0.52  1.0
  La  La3  1  0.66  0.47  0.24  1.0
  La  La4  1  0.04  0.16  0.9  1.0
  La  La5  1  0.17  0.16  0.62  1.0
  La  La6  1  0.39  0.47  0.05  1.0
  La  La7  1  0.51  0.47  0.47  1.0
  Mo  Mo8  1  0.97  0.16  0.01  1.0
  Mo  Mo9  1  0.88  0.47  0.44  1.0
  Mo  Mo10  1  0.82  0.16  0.7  1.0
  Mo  Mo11  1  0.73  0.47  0.13  1.0

data_La2Mo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   7.7
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La8 Mo4'
_cell_volume   326.08
_cell_formula_units_Z   4
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  0.34  0.19  0.33  1.0
  La  La1  2  0.34  0.32  0.05  1.0
  La  La2  2  0.34  0.34  0.1  1.0
  La  La3  2  0.34  0.46  0.52  1.0
  Mo  Mo4  2  0.34  0.12  0.44  1.0
  Mo  Mo5  2  0.34  0.97  0.13  1.0

La La La La La La La La Mo Mo Mo Mo