data_GeOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.25
_cell_angle_alpha   108.11
_cell_angle_beta   108.11
_cell_angle_gamma   46.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe2
_chemical_formula_sum   'Ge1 Os1 Se2'
_cell_volume   92.71
_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
  Ge  Ge0  1  0.71  0.0  0.67  1.0
  Os  Os1  1  0.2  0.0  0.7  1.0
  Se  Se2  1  0.68  0.0  0.41  1.0
  Se  Se3  1  0.58  0.0  0.92  1.0

data_GeOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.67
_cell_length_c   6.25
_cell_angle_alpha   108.11
_cell_angle_beta   90.0
_cell_angle_gamma   113.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe2
_chemical_formula_sum   'Ge1 Os1 Se2'
_cell_volume   92.71
_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
  Ge  Ge0  1  0.0  0.29  0.33  1.0
  Os  Os1  1  0.0  0.8  0.3  1.0
  Se  Se2  1  0.0  0.32  0.59  1.0
  Se  Se3  1  0.0  0.42  0.08  1.0

Ge Os Se Se