data_Y2ZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   142.85
_cell_angle_beta   135.87
_cell_angle_gamma   59.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnGe
_chemical_formula_sum   'Y2 Zn1 Ge1'
_cell_volume   91.72
_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
  Y  Y1  1  0.0  0.0  0.45  1.0
  Y  Y2  1  0.92  0.0  0.71  1.0
  Zn  Zn3  1  0.0  0.0  0.62  1.0
  Ge  Ge0  1  0.0  0.27  0.24  1.0

data_Y2ZnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.54
_cell_length_c   6.04
_cell_angle_alpha   112.07
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnGe
_chemical_formula_sum   'Y2 Zn1 Ge1'
_cell_volume   91.72
_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
  Y  Y0  1  0.0  0.45  0.45  1.0
  Y  Y1  1  0.0  0.71  0.79  1.0
  Zn  Zn2  1  0.0  0.62  0.62  1.0
  Ge  Ge3  1  0.73  0.97  0.97  1.0

Y Y Zn Ge
Y Y Zn Ge 0 2 o o o 1 2 + o o 1 3 + o + 