data_YNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiGe2
_chemical_formula_sum   'Y1 Ni1 Ge2'
_cell_volume   72.33
_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  Y3  1  0.95  0.0  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0
  Ge  Ge0  1  0.0  0.0  0.06  1.0
  Ge  Ge1  1  0.95  0.0  0.27  1.0

data_YNiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiGe2
_chemical_formula_sum   'Y1 Ni1 Ge2'
_cell_volume   72.33
_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  0.95  0.0  0.81  1.0
  Ni  Ni1  1  0.0  0.0  0.53  1.0
  Ge  Ge2  1  0.0  0.0  0.06  1.0
  Ge  Ge3  1  0.95  0.0  0.27  1.0

Y Ni Ge Ge
Y Ni Ge Ge 0 1 + o o 0 2 + o + 1 3 - o o 2 3 - o o 