data_CaCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuGe2
_chemical_formula_sum   'Ca1 Cu1 Ge2'
_cell_volume   76.45
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.94  0.0  0.0  1.0
  Ge  Ge2  1  0.47  0.92  0.56  1.0
  Ge  Ge3  1  0.47  0.08  0.56  1.0

data_CaCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuGe2
_chemical_formula_sum   'Ca1 Cu1 Ge2'
_cell_volume   76.45
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  -0.0  0.94  0.0  1.0
  Ge  Ge2  1  0.56  0.47  0.92  1.0
  Ge  Ge3  1  0.56  0.47  0.08  1.0

Ca Cu Ge Ge