data_TaAlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.32
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   96.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlGe2
_chemical_formula_sum   'Ta1 Al1 Ge2'
_cell_volume   68.4
_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  Ta3  1  0.69  0.16  0.64  1.0
  Al  Al0  1  0.09  0.0  0.99  1.0
  Ge  Ge1  1  0.32  0.16  0.25  1.0
  Ge  Ge2  1  0.36  0.0  0.38  1.0

data_TaAlGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.32
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   96.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlGe2
_chemical_formula_sum   'Ta1 Al1 Ge2'
_cell_volume   68.4
_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  Ta0  1  0.69  0.16  0.64  1.0
  Al  Al1  1  0.09  0.0  0.99  1.0
  Ge  Ge2  1  0.32  0.16  0.25  1.0
  Ge  Ge3  1  0.36  0.0  0.38  1.0

Ta Al Ge Ge
Ta Al Ge Ge 0 3 o o o 1 2 o o + 2 3 o o o 