data_Mn2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.6
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SbOs
_chemical_formula_sum   'Mn2 Sb1 Os1'
_cell_volume   60.91
_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  0.51  0.8  0.12  1.0
  Mn  Mn1  1  0.0  0.0  0.41  1.0
  Sb  Sb3  1  0.0  0.0  0.27  1.0
  Os  Os2  1  0.51  0.8  0.6  1.0

data_Mn2SbOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.6
_cell_length_b   3.02
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2SbOs
_chemical_formula_sum   'Mn2 Sb1 Os1'
_cell_volume   60.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.41  1.0
  Mn  Mn1  1  0.8  0.5  0.12  1.0
  Sb  Sb2  1  0.0  0.0  0.27  1.0
  Os  Os3  1  0.8  0.5  0.6  1.0

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