data_ZnCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.19
_cell_angle_alpha   107.11
_cell_angle_beta   107.11
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Ge
_chemical_formula_sum   'Zn1 Co2 Ge1'
_cell_volume   49.09
_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
  Zn  Zn3  1  0.4  0.0  0.72  1.0
  Co  Co0  1  0.8  0.0  0.25  1.0
  Co  Co1  1  0.37  0.0  0.73  1.0
  Ge  Ge2  1  0.83  0.0  0.28  1.0

data_ZnCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.19
_cell_length_c   4.67
_cell_angle_alpha   107.11
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Ge
_chemical_formula_sum   'Zn1 Co2 Ge1'
_cell_volume   49.09
_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
  Zn  Zn0  1  0.0  0.72  0.4  1.0
  Co  Co1  1  0.0  0.25  0.8  1.0
  Co  Co2  1  0.0  0.73  0.37  1.0
  Ge  Ge3  1  0.0  0.28  0.83  1.0

Zn Co Co Ge
Zn Co Co Ge 0 2 o o o 1 3 o o o 