data_Mn3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Os
_chemical_formula_sum   'Mn6 Os2'
_cell_volume   100.89
_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  0.38  0.89  0.04  1.0
  Mn  Mn1  1  0.38  0.11  0.11  1.0
  Mn  Mn2  1  0.21  0.8  0.04  1.0
  Mn  Mn3  1  0.54  0.2  0.11  1.0
  Mn  Mn4  1  0.54  0.8  0.04  1.0
  Mn  Mn5  1  0.21  0.2  0.11  1.0
  Os  Os6  1  0.38  0.67  0.11  1.0
  Os  Os7  1  0.38  0.33  0.04  1.0

data_Mn3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.15
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   93.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn3Os
_chemical_formula_sum   'Mn6 Os2'
_cell_volume   100.89
_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  0.04  0.0  0.11  1.0
  Mn  Mn1  2  0.04  0.16  0.2  1.0
  Mn  Mn2  2  0.04  0.84  0.2  1.0
  Os  Os3  2  0.04  0.0  0.67  1.0

Mn Mn Mn Mn Mn Mn Os Os