data_AgGe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   5.35
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   94.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe2Se
_chemical_formula_sum   'Ag1 Ge2 Se1'
_cell_volume   80.28
_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
  Ag  Ag0  1  0.23  0.0  0.64  1.0
  Ge  Ge1  1  0.1  0.67  0.95  1.0
  Ge  Ge2  1  0.35  0.67  0.33  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_AgGe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.3
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgGe2Se
_chemical_formula_sum   'Ag1 Ge2 Se1'
_cell_volume   80.28
_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
  Ag  Ag0  1  0.77  0.36  0.0  1.0
  Ge  Ge1  1  0.65  0.67  0.33  1.0
  Ge  Ge2  1  0.9  0.05  0.33  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ag Ge Ge Se