data_Mn2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.07
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BSb
_chemical_formula_sum   'Mn2 B1 Sb1'
_cell_volume   56.34
_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
  Mn  Mn1  1  0.31  0.54  0.06  1.0
  Mn  Mn2  1  0.45  0.54  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.88  0.0  0.92  1.0

data_Mn2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.13
_cell_length_c   6.01
_cell_angle_alpha   103.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BSb
_chemical_formula_sum   'Mn2 B1 Sb1'
_cell_volume   56.34
_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
  Mn  Mn0  1  0.46  0.55  0.21  1.0
  Mn  Mn1  1  0.46  0.69  0.94  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.12  0.08  1.0

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