data_MnOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOs3
_chemical_formula_sum   'Mn2 Os6'
_cell_volume   108.47
_cell_formula_units_Z   2
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  0.13  0.07  1.0
  Mn  Mn1  1  0.71  0.56  0.2  1.0
  Os  Os2  1  0.0  0.6  0.2  1.0
  Os  Os3  1  0.68  0.89  0.2  1.0
  Os  Os4  1  0.03  0.8  0.07  1.0
  Os  Os5  1  0.71  0.09  0.07  1.0
  Os  Os6  1  0.32  0.89  0.2  1.0
  Os  Os7  1  0.39  0.8  0.07  1.0

data_MnOs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.27
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnOs3
_chemical_formula_sum   'Mn2 Os6'
_cell_volume   108.47
_cell_formula_units_Z   2
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  2  0.07  0.35  0.22  1.0
  Os  Os1  2  0.07  0.32  0.55  1.0
  Os  Os2  2  0.07  0.65  0.25  1.0
  Os  Os3  2  0.07  0.97  0.55  1.0

Mn Mn Os Os Os Os Os Os