data_FeGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   136.06
_cell_angle_beta   136.06
_cell_angle_gamma   63.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2Os
_chemical_formula_sum   'Fe1 Ge2 Os1'
_cell_volume   55.12
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.82  0.0  0.07  1.0
  Ge  Ge2  1  0.0  0.0  0.14  1.0
  Os  Os3  1  0.0  0.82  0.07  1.0

data_FeGe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.88
_cell_angle_alpha   111.97
_cell_angle_beta   111.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2Os
_chemical_formula_sum   'Fe1 Ge2 Os1'
_cell_volume   55.12
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.86  0.0  0.86  1.0
  Ge  Ge2  1  0.93  0.0  0.76  1.0
  Os  Os3  1  0.76  0.82  0.76  1.0

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