data_ZrZnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.04
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   113.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnGe2
_chemical_formula_sum   'Zr1 Zn1 Ge2'
_cell_volume   74.17
_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  0.94  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.91  0.77  0.41  1.0
  Ge  Ge1  1  0.91  0.23  0.41  1.0

data_ZrZnGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   113.15
_cell_angle_beta   101.8
_cell_angle_gamma   101.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnGe2
_chemical_formula_sum   'Zr1 Zn1 Ge2'
_cell_volume   74.17
_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  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.41  0.91  0.77  1.0
  Ge  Ge3  1  0.41  0.91  0.23  1.0

Zr Zn Ge Ge