data_[Cd1Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9214]
_cell_length_b [2.9793]
_cell_length_c [5.4406]
_cell_angle_alpha [82.4823]
_cell_angle_beta [89.5354]
_cell_angle_gamma [65.5429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdGe]
_chemical_formula_sum '[Cd1 Ge1]'
_cell_volume [42.6780]
_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
[
  Cd  Cd0  1  0.0000  0.5000  0.0000  1
  Ge  Ge1  1  0.5000  0.5000  0.5000  1
]