data_BaAlCuMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlCuMoO5
_chemical_formula_sum   'Ba1 Al1 Cu1 Mo1 O5'
_cell_volume   121.8
_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
  Ba  Ba0  1  0.92  0.92  0.23  1.0
  Al  Al1  1  0.92  0.92  0.67  1.0
  Cu  Cu2  1  0.0  0.0  0.35  1.0
  Mo  Mo3  1  0.0  0.0  0.71  1.0
  O  O4  1  0.92  0.0  0.99  1.0
  O  O5  1  0.0  0.92  0.99  1.0
  O  O6  1  0.92  0.0  0.49  1.0
  O  O7  1  0.0  0.92  0.49  1.0
  O  O8  1  0.0  0.0  0.74  1.0

data_BaAlCuMoO5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAlCuMoO5
_chemical_formula_sum   'Ba2 Al2 Cu2 Mo2 O10'
_cell_volume   243.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.42  0.5  0.23  1.0
  Al  Al1  2  0.42  0.5  0.67  1.0
  Cu  Cu2  2  0.0  0.0  0.35  1.0
  Mo  Mo3  2  0.0  0.0  0.71  1.0
  O  O4  4  0.46  0.46  0.49  1.0
  O  O5  4  0.46  0.46  0.99  1.0
  O  O6  2  0.0  0.0  0.74  1.0

Ba Al Cu Mo O O O O O