data_YCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   3.08
_cell_angle_alpha   101.16
_cell_angle_beta   101.16
_cell_angle_gamma   113.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuGe2
_chemical_formula_sum   'Y1 Cu1 Ge2'
_cell_volume   78.19
_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  0.97  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.94  0.28  0.44  1.0
  Ge  Ge2  1  0.94  0.72  0.44  1.0

data_YCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   113.93
_cell_angle_beta   101.16
_cell_angle_gamma   101.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuGe2
_chemical_formula_sum   'Y1 Cu1 Ge2'
_cell_volume   78.19
_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  0.97  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.44  0.94  0.28  1.0
  Ge  Ge3  1  0.44  0.94  0.72  1.0

Y Cu Ge Ge