data_ZrFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.48
_cell_angle_alpha   106.9
_cell_angle_beta   106.9
_cell_angle_gamma   42.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Ge
_chemical_formula_sum   'Zr1 Fe2 Ge1'
_cell_volume   60.14
_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  0.54  0.0  0.13  1.0
  Fe  Fe0  1  0.98  0.0  0.87  1.0
  Fe  Fe1  1  0.11  0.0  0.39  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_ZrFe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.48
_cell_length_c   4.56
_cell_angle_alpha   106.9
_cell_angle_beta   111.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Ge
_chemical_formula_sum   'Zr1 Fe2 Ge1'
_cell_volume   60.14
_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  0.13  0.54  1.0
  Fe  Fe1  1  0.0  0.39  0.11  1.0
  Fe  Fe2  1  0.0  0.87  0.98  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Zr Fe Fe Ge
Zr Fe Fe Ge 0 1 - o - 0 1 o o - 0 3 o o o 0 3 + o o 0 2 o o o 0 2 + o o 1 3 + o + 2 3 o o o 