data_YCdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   137.79
_cell_angle_beta   137.79
_cell_angle_gamma   61.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGe2
_chemical_formula_sum   'Y1 Cd1 Ge2'
_cell_volume   85.75
_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  0.0  0.0  0.97  1.0
  Cd  Cd0  1  0.0  0.08  0.48  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.08  0.0  0.48  1.0

data_YCdGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.77
_cell_angle_alpha   111.11
_cell_angle_beta   111.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGe2
_chemical_formula_sum   'Y1 Cd1 Ge2'
_cell_volume   85.75
_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  0.97  0.97  0.97  1.0
  Cd  Cd1  1  0.41  0.48  0.41  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.48  0.41  0.41  1.0

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