data_Ba2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   145.6
_cell_angle_beta   134.0
_cell_angle_gamma   58.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbMo
_chemical_formula_sum   'Ba2 Sb1 Mo1'
_cell_volume   142.8
_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  0.0  0.0  0.1  1.0
  Ba  Ba1  1  0.09  0.0  0.34  1.0
  Sb  Sb3  1  0.0  0.77  0.44  1.0
  Mo  Mo2  1  0.0  0.0  0.8  1.0

data_Ba2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.53
_cell_length_c   7.08
_cell_angle_alpha   113.0
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbMo
_chemical_formula_sum   'Ba2 Sb1 Mo1'
_cell_volume   142.8
_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  0.75  0.66  0.75  1.0
  Ba  Ba1  1  0.9  0.9  0.9  1.0
  Sb  Sb2  1  0.56  0.33  0.33  1.0
  Mo  Mo3  1  0.2  0.2  0.2  1.0

Ba Ba Sb Mo
Ba Ba Sb Mo 0 1 o o o 2 3 o + o 