data_YCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.08
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuGe2
_chemical_formula_sum   'Y1 Cu1 Ge2'
_cell_volume   78.04
_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  0.64  0.0  0.56  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.13  0.04  0.18  1.0
  Ge  Ge2  1  0.15  0.04  0.94  1.0

data_YCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.08
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuGe2
_chemical_formula_sum   'Y1 Cu1 Ge2'
_cell_volume   78.04
_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  0.64  0.0  0.56  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.13  0.04  0.18  1.0
  Ge  Ge3  1  0.15  0.04  0.94  1.0

Y Cu Ge Ge