data_BaMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.61
_cell_angle_alpha   109.33
_cell_angle_beta   109.33
_cell_angle_gamma   57.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba1 Mn2 Sb1'
_cell_volume   106.1
_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  0.13  0.0  0.72  1.0
  Mn  Mn1  1  0.01  0.0  0.13  1.0
  Mn  Mn2  1  0.32  0.0  0.21  1.0
  Sb  Sb3  1  0.67  0.0  0.13  1.0

data_BaMn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.53
_cell_length_c   6.61
_cell_angle_alpha   109.33
_cell_angle_beta   90.0
_cell_angle_gamma   118.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Sb
_chemical_formula_sum   'Ba1 Mn2 Sb1'
_cell_volume   106.1
_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  0.87  0.28  1.0
  Mn  Mn1  1  0.0  0.68  0.79  1.0
  Mn  Mn2  1  0.0  0.99  0.87  1.0
  Sb  Sb3  1  0.0  0.33  0.87  1.0

Ba Mn Mn Sb