data_Mn2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   154.17
_cell_angle_beta   152.46
_cell_angle_gamma   38.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BSb
_chemical_formula_sum   'Mn2 B1 Sb1'
_cell_volume   51.27
_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  0.42  0.0  0.04  1.0
  Mn  Mn2  1  0.0  0.0  0.08  1.0
  B  B0  1  0.0  0.0  0.49  1.0
  Sb  Sb3  1  0.42  0.0  0.37  1.0

data_Mn2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.02
_cell_length_c   6.34
_cell_angle_alpha   103.77
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BSb
_chemical_formula_sum   'Mn2 B1 Sb1'
_cell_volume   51.27
_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  0.0  0.04  0.62  1.0
  Mn  Mn1  1  0.0  0.08  0.08  1.0
  B  B2  1  0.0  0.49  0.49  1.0
  Sb  Sb3  1  0.0  0.37  0.95  1.0

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