data_ZnCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.42
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   93.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrGe2
_chemical_formula_sum   'Zn1 Cr1 Ge2'
_cell_volume   60.95
_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  0.23  0.0  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.75  0.21  0.8  1.0
  Ge  Ge2  1  0.7  0.21  0.18  1.0

data_ZnCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.42
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   93.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrGe2
_chemical_formula_sum   'Zn1 Cr1 Ge2'
_cell_volume   60.95
_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  0.23  0.0  0.49  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.7  0.21  0.18  1.0
  Ge  Ge3  1  0.75  0.21  0.8  1.0

Zn Cr Ge Ge
Zn Cr Ge Ge 0 1 o o o 0 1 o o + 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 0 + o o 1 2 - o - 1 3 - o o 2 3 o o + 