data_GeAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.67
_cell_angle_alpha   106.46
_cell_angle_beta   106.46
_cell_angle_gamma   58.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAuSe2
_chemical_formula_sum   'Ge1 Au1 Se2'
_cell_volume   84.25
_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  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.36  0.0  0.15  1.0
  Se  Se2  1  0.6  0.0  0.56  1.0
  Se  Se3  1  0.11  0.0  0.75  1.0

data_GeAuSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.95
_cell_length_c   6.67
_cell_angle_alpha   106.46
_cell_angle_beta   90.0
_cell_angle_gamma   119.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAuSe2
_chemical_formula_sum   'Ge1 Au1 Se2'
_cell_volume   84.25
_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
  Au  Au1  1  0.0  0.64  0.85  1.0
  Se  Se2  1  0.0  0.4  0.44  1.0
  Se  Se3  1  0.0  0.89  0.25  1.0

Ge Au Se Se