data_MnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.27
_cell_angle_alpha   103.35
_cell_angle_beta   103.35
_cell_angle_gamma   31.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOs2
_chemical_formula_sum   'Mn2 Os4'
_cell_volume   79.35
_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  0.88  0.0  0.92  1.0
  Mn  Mn1  1  0.26  0.0  0.17  1.0
  Os  Os2  1  0.62  0.0  0.82  1.0
  Os  Os3  1  0.53  0.0  0.27  1.0
  Os  Os4  1  0.52  0.0  0.23  1.0
  Os  Os5  1  0.63  0.0  0.86  1.0

data_MnOs2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.7
_cell_length_b   5.01
_cell_length_c   6.27
_cell_angle_alpha   103.35
_cell_angle_beta   90.0
_cell_angle_gamma   105.64
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnOs2
_chemical_formula_sum   'Mn2 Os4'
_cell_volume   79.35
_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  0.0  0.31  0.38  1.0
  Os  Os1  2  0.0  0.05  0.28  1.0
  Os  Os2  2  0.0  0.06  0.32  1.0

Mn Mn Os Os Os Os
Mn Mn Os Os Os Os 0 5 o o o 0 2 o o o 1 4 o o o 1 3 o o o 2 5 o o o 3 4 o o o 