data_Mn2GeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GeOs
_chemical_formula_sum   'Mn2 Ge1 Os1'
_cell_volume   54.63
_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
  Mn  Mn1  1  0.51  0.0  0.97  1.0
  Mn  Mn2  1  0.51  0.0  0.16  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.06  1.0

data_Mn2GeOs
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.69
_cell_length_b   8.13
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   111.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Mn2GeOs
_chemical_formula_sum   'Mn2 Ge1 Os1'
_cell_volume   54.63
_cell_formula_units_Z   1
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  1  0.5  0.03  0.0  1.0
  Mn  Mn1  1  0.5  0.84  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.94  0.0  1.0

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