data_Ba2MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   123.41
_cell_angle_beta   120.77
_cell_angle_gamma   86.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnSb
_chemical_formula_sum   'Ba2 Mn1 Sb1'
_cell_volume   144.28
_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  0.82  0.0  0.15  1.0
  Ba  Ba1  1  0.0  0.94  0.19  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.34  1.0

data_Ba2MnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   5.89
_cell_length_c   5.96
_cell_angle_alpha   119.61
_cell_angle_beta   118.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnSb
_chemical_formula_sum   'Ba2 Mn1 Sb1'
_cell_volume   144.28
_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  0.67  0.85  0.67  1.0
  Ba  Ba1  1  0.81  0.75  0.75  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.66  0.66  0.66  1.0

Ba Ba Mn Sb
Ba Ba Mn Sb 0 1 + - o 0 3 + o o 1 3 o + o 1 2 o + o 