data_InAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.04
_cell_angle_alpha   97.85
_cell_angle_beta   97.85
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Ge
_chemical_formula_sum   'In1 Ag2 Ge1'
_cell_volume   79.53
_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
  In  In3  1  0.03  0.0  0.77  1.0
  Ag  Ag0  1  0.04  0.0  0.04  1.0
  Ag  Ag1  1  0.44  0.0  0.25  1.0
  Ge  Ge2  1  0.69  0.0  0.42  1.0

data_InAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.04
_cell_length_c   5.33
_cell_angle_alpha   97.85
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2Ge
_chemical_formula_sum   'In1 Ag2 Ge1'
_cell_volume   79.53
_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
  In  In0  1  0.0  0.77  0.03  1.0
  Ag  Ag1  1  0.0  0.04  0.04  1.0
  Ag  Ag2  1  0.0  0.25  0.44  1.0
  Ge  Ge3  1  0.0  0.42  0.69  1.0

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