data_MgMnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.87
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnOs2
_chemical_formula_sum   'Mg1 Mn1 Os2'
_cell_volume   59.02
_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
  Mg  Mg0  1  0.98  0.0  0.77  1.0
  Mn  Mn1  1  0.35  0.94  0.12  1.0
  Os  Os2  1  0.75  0.0  0.07  1.0
  Os  Os3  1  0.36  0.94  0.24  1.0

data_MgMnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.87
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnOs2
_chemical_formula_sum   'Mg1 Mn1 Os2'
_cell_volume   59.02
_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
  Mg  Mg0  1  0.98  0.0  0.77  1.0
  Mn  Mn1  1  0.35  0.94  0.12  1.0
  Os  Os2  1  0.36  0.94  0.24  1.0
  Os  Os3  1  0.75  0.0  0.07  1.0

Mg Mn Os Os
Mg Mn Os Os 0 2 o o + 1 3 o o o 1 2 o + o 