data_La2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.51
_cell_length_c   3.56
_cell_angle_alpha   79.28
_cell_angle_beta   73.65
_cell_angle_gamma   27.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La2 Mo1'
_cell_volume   88.92
_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  0.23  0.78  0.35  1.0
  La  La1  1  0.23  0.78  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_La2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.51
_cell_angle_alpha   100.72
_cell_angle_beta   100.72
_cell_angle_gamma   102.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Mo
_chemical_formula_sum   'La2 Mo1'
_cell_volume   88.92
_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  0.23  0.65  0.01  1.0
  La  La1  1  0.23  1.0  0.01  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

La La Mo