data_GeOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   148.73
_cell_angle_beta   146.76
_cell_angle_gamma   46.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe2
_chemical_formula_sum   'Ge1 Os1 Se2'
_cell_volume   85.97
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.18  1.0
  Se  Se2  1  0.0  0.92  0.85  1.0
  Se  Se3  1  0.81  0.0  0.32  1.0

data_GeOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.84
_cell_length_c   6.72
_cell_angle_alpha   106.62
_cell_angle_beta   105.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe2
_chemical_formula_sum   'Ge1 Os1 Se2'
_cell_volume   85.97
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.18  0.18  1.0
  Se  Se2  1  0.0  0.32  0.51  1.0
  Se  Se3  1  0.08  0.93  0.93  1.0

Ge Os Se Se