data_Mg2MnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.43
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnOs
_chemical_formula_sum   'Mg2 Mn1 Os1'
_cell_volume   58.94
_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  0.87  0.21  0.77  1.0
  Mg  Mg1  1  0.77  0.21  0.24  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.82  0.0  0.51  1.0

data_Mg2MnOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.43
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnOs
_chemical_formula_sum   'Mg2 Mn1 Os1'
_cell_volume   58.94
_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  0.77  0.21  0.24  1.0
  Mg  Mg1  1  0.87  0.21  0.77  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.82  0.0  0.51  1.0

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