data_Ta(AgGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   149.37
_cell_angle_beta   149.37
_cell_angle_gamma   43.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta(AgGe)2
_chemical_formula_sum   'Ta1 Ag2 Ge2'
_cell_volume   90.98
_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
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.86  0.27  1.0
  Ag  Ag1  1  0.86  0.0  0.27  1.0
  Ge  Ge2  1  0.0  0.0  0.78  1.0
  Ge  Ge3  1  0.0  0.0  0.31  1.0

data_Ta(AgGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta(AgGe)2
_chemical_formula_sum   'Ta2 Ag4 Ge4'
_cell_volume   181.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  4  0.34  0.07  0.41  1.0
  Ge  Ge2  2  0.28  0.5  0.78  1.0
  Ge  Ge3  2  0.31  0.0  0.31  1.0

Ta Ag Ag Ge Ge
Ta Ag Ag Ge Ge 0 3 o o - 1 4 o + o 1 2 - + o 2 4 + o o 