data_Mg2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   149.3
_cell_angle_beta   130.0
_cell_angle_gamma   59.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeOs
_chemical_formula_sum   'Mg2 Fe1 Os1'
_cell_volume   61.32
_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  Mg1  1  0.0  0.29  0.46  1.0
  Mg  Mg2  1  0.0  0.0  0.48  1.0
  Fe  Fe0  1  0.0  0.0  0.87  1.0
  Os  Os3  1  0.0  0.29  0.25  1.0

data_Mg2FeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.57
_cell_length_c   5.41
_cell_angle_alpha   115.0
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeOs
_chemical_formula_sum   'Mg2 Fe1 Os1'
_cell_volume   61.32
_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  0.52  0.52  0.52  1.0
  Mg  Mg1  1  0.54  0.82  0.82  1.0
  Fe  Fe2  1  0.13  0.13  0.13  1.0
  Os  Os3  1  0.75  0.04  0.04  1.0

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