data_CuAgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   143.56
_cell_angle_beta   133.39
_cell_angle_gamma   60.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgGe
_chemical_formula_sum   'Cu1 Ag1 Ge1'
_cell_volume   47.42
_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
  Cu  Cu1  1  0.0  0.0  0.56  1.0
  Ag  Ag0  1  0.0  0.0  0.03  1.0
  Ge  Ge2  1  0.0  0.0  0.71  1.0

data_CuAgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.8
_cell_length_c   4.81
_cell_angle_alpha   113.3
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgGe
_chemical_formula_sum   'Cu1 Ag1 Ge1'
_cell_volume   47.42
_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
  Cu  Cu0  1  0.0  0.56  0.56  1.0
  Ag  Ag1  1  0.0  0.03  0.03  1.0
  Ge  Ge2  1  0.0  0.71  0.71  1.0

Cu Ag Ge
Cu Ag Ge 0 2 o o o 1 2 o o - 