data_Mn2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BOs
_chemical_formula_sum   'Mn2 B1 Os1'
_cell_volume   44.61
_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  0.41  0.0  0.27  1.0
  Mn  Mn2  1  0.0  0.0  0.5  1.0
  B  B0  1  0.0  0.0  0.69  1.0
  Os  Os3  1  0.41  0.0  0.29  1.0

data_Mn2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BOs
_chemical_formula_sum   'Mn2 B1 Os1'
_cell_volume   44.61
_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  0.0  0.5  1.0
  Mn  Mn1  1  0.41  0.0  0.27  1.0
  B  B2  1  0.0  0.0  0.69  1.0
  Os  Os3  1  0.41  0.0  0.29  1.0

Mn Mn B Os
Mn Mn B Os 0 3 o o o 1 2 o o o 