data_MnSiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   143.63
_cell_angle_beta   130.66
_cell_angle_gamma   62.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiOs
_chemical_formula_sum   'Mn1 Si1 Os1'
_cell_volume   37.61
_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  0.49  1.0
  Si  Si2  1  0.0  0.0  0.5  1.0
  Os  Os1  1  0.0  0.0  0.99  1.0

data_MnSiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.66
_cell_length_c   4.39
_cell_angle_alpha   114.67
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiOs
_chemical_formula_sum   'Mn1 Si1 Os1'
_cell_volume   37.61
_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  0.49  0.49  1.0
  Si  Si1  1  0.0  0.5  0.5  1.0
  Os  Os2  1  0.0  0.99  0.99  1.0

Mn Si Os
Mn Si Os 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 1 2 o o - 