data_ZrTaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaGe2
_chemical_formula_sum   'Zr1 Ta1 Ge2'
_cell_volume   72.23
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.9  1.0
  Ge  Ge0  1  0.88  0.0  0.02  1.0
  Ge  Ge1  1  0.88  0.0  0.77  1.0

data_ZrTaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaGe2
_chemical_formula_sum   'Zr1 Ta1 Ge2'
_cell_volume   72.23
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.9  1.0
  Ge  Ge2  1  0.88  0.0  0.02  1.0
  Ge  Ge3  1  0.88  0.0  0.77  1.0

Zr Ta Ge Ge
Zr Ta Ge Ge 0 2 - o o 0 1 o o - 1 3 - o o 