data_Mg2GeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.37
_cell_angle_beta   135.37
_cell_angle_gamma   64.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GeOs
_chemical_formula_sum   'Mg2 Ge1 Os1'
_cell_volume   64.52
_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  0.94  0.0  0.15  1.0
  Mg  Mg2  1  0.0  0.94  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.3  1.0

data_Mg2GeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   122.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2GeOs
_chemical_formula_sum   'Mg4 Ge2 Os2'
_cell_volume   129.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.32  0.47  0.79  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.2  0.5  0.7  1.0

Mg Mg Ge Os
Mg Mg Ge Os 0 1 + - o 0 2 + o o 0 3 + o o 1 2 o + o 1 3 o + o 