data_Ga2AgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.24
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   33.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgGe
_chemical_formula_sum   'Ga2 Ag1 Ge1'
_cell_volume   73.48
_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
  Ga  Ga1  1  0.03  0.0  0.02  1.0
  Ga  Ga2  1  0.68  0.0  0.85  1.0
  Ag  Ag0  1  0.07  0.0  0.25  1.0
  Ge  Ge3  1  0.32  0.0  0.58  1.0

data_Ga2AgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.11
_cell_length_c   5.24
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   106.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AgGe
_chemical_formula_sum   'Ga2 Ag1 Ge1'
_cell_volume   73.48
_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
  Ga  Ga0  1  0.0  0.32  0.15  1.0
  Ga  Ga1  1  0.0  0.97  0.98  1.0
  Ag  Ag2  1  0.0  0.93  0.75  1.0
  Ge  Ge3  1  0.0  0.68  0.42  1.0

Ga Ga Ag Ge
Ga Ga Ag Ge 0 2 o o o 0 1 - o - 1 3 o o o 2 3 o o o 