data_GeOsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   142.03
_cell_angle_beta   130.67
_cell_angle_gamma   63.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe
_chemical_formula_sum   'Ge1 Os1 Se1'
_cell_volume   49.23
_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  0.07  1.0
  Os  Os1  1  0.0  0.0  0.28  1.0
  Se  Se2  1  0.0  0.0  0.7  1.0

data_GeOsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.96
_cell_length_c   4.75
_cell_angle_alpha   114.67
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeOsSe
_chemical_formula_sum   'Ge1 Os1 Se1'
_cell_volume   49.23
_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  0.93  0.93  0.93  1.0
  Os  Os1  1  0.72  0.72  0.72  1.0
  Se  Se2  1  0.3  0.3  0.3  1.0

Ge Os Se
Ge Os Se 0 1 o o o 0 2 o o - 1 2 o o o 