data_Sr2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdGe
_chemical_formula_sum   'Sr2 Cd1 Ge1'
_cell_volume   122.91
_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
  Sr  Sr2  1  0.96  0.99  0.98  1.0
  Sr  Sr3  1  0.96  0.01  0.98  1.0
  Cd  Cd0  1  0.91  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Sr2CdGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.95
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CdGe
_chemical_formula_sum   'Sr2 Cd1 Ge1'
_cell_volume   122.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  2  0.98  0.01  0.96  1.0
  Cd  Cd1  1  0.0  0.0  0.91  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

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