data_YAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.06
_cell_angle_alpha   115.62
_cell_angle_beta   115.62
_cell_angle_gamma   54.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Ge
_chemical_formula_sum   'Y1 Ag2 Ge1'
_cell_volume   82.1
_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
  Y  Y3  1  0.82  0.0  0.2  1.0
  Ag  Ag0  1  0.04  0.0  0.25  1.0
  Ag  Ag1  1  0.21  0.0  0.05  1.0
  Ge  Ge2  1  0.01  0.0  0.55  1.0

data_YAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.78
_cell_length_c   5.06
_cell_angle_alpha   115.62
_cell_angle_beta   90.0
_cell_angle_gamma   117.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Ge
_chemical_formula_sum   'Y1 Ag2 Ge1'
_cell_volume   82.1
_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
  Y  Y0  1  0.0  0.18  0.8  1.0
  Ag  Ag1  1  0.0  0.79  0.95  1.0
  Ag  Ag2  1  0.0  0.96  0.75  1.0
  Ge  Ge3  1  0.0  0.99  0.45  1.0

Y Ag Ag Ge
Y Ag Ag Ge 0 1 + o o 0 3 + o o 1 2 o o o 1 3 o o o 