data_La2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La4 Mo2'
_cell_volume   165.89
_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  0.74  0.0  0.39  1.0
  La  La1  1  0.29  0.24  0.39  1.0
  La  La2  1  0.13  0.24  0.39  1.0
  La  La3  1  0.0  0.0  0.0  1.0
  Mo  Mo4  1  0.16  0.83  0.0  1.0
  Mo  Mo5  1  0.0  0.65  0.0  1.0

data_La2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La4 Mo2'
_cell_volume   165.89
_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  0.0  0.0  1.0
  La  La1  1  0.39  0.13  0.24  1.0
  La  La2  1  0.39  0.29  0.24  1.0
  La  La3  1  0.39  0.74  0.0  1.0
  Mo  Mo4  1  -0.0  0.0  0.65  1.0
  Mo  Mo5  1  0.0  0.16  0.83  1.0

La La La La Mo Mo