data_ZrFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.3
_cell_angle_alpha   113.46
_cell_angle_beta   113.46
_cell_angle_gamma   38.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Ge
_chemical_formula_sum   'Zr1 Fe2 Ge1'
_cell_volume   59.68
_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  0.94  1.0
  Fe  Fe0  1  0.38  0.0  0.83  1.0
  Fe  Fe1  1  0.01  0.0  0.89  1.0
  Ge  Ge2  1  0.89  0.0  0.08  1.0

data_ZrFe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.3
_cell_length_c   4.95
_cell_angle_alpha   113.46
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Ge
_chemical_formula_sum   'Zr1 Fe2 Ge1'
_cell_volume   59.68
_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  0.94  0.54  1.0
  Fe  Fe1  1  0.0  0.83  0.38  1.0
  Fe  Fe2  1  0.0  0.89  0.01  1.0
  Ge  Ge3  1  0.0  0.08  0.89  1.0

Zr Fe Fe Ge