data_TaZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.4
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Ge
_chemical_formula_sum   'Ta1 Zn2 Ge1'
_cell_volume   64.55
_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  Ta1  1  0.65  0.2  0.86  1.0
  Zn  Zn2  1  0.18  0.0  0.02  1.0
  Zn  Zn3  1  0.06  0.2  0.2  1.0
  Ge  Ge0  1  0.04  0.0  0.76  1.0

data_TaZn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.4
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Ge
_chemical_formula_sum   'Ta1 Zn2 Ge1'
_cell_volume   64.55
_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  0.65  0.2  0.86  1.0
  Zn  Zn1  1  0.06  0.2  0.2  1.0
  Zn  Zn2  1  0.18  0.0  0.02  1.0
  Ge  Ge3  1  0.04  0.0  0.76  1.0

Ta Zn Zn Ge