data_[Cd1Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.9414]
_cell_length_b [3.4991]
_cell_length_c [4.4876]
_cell_angle_alpha [88.8527]
_cell_angle_beta [71.0348]
_cell_angle_gamma [67.6543]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdSi]
_chemical_formula_sum '[Cd1 Si1]'
_cell_volume [40.1171]
_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  0.5000  0.5000  0.5000  1
  Si  Si1  1  0.5000  0.0000  0.0000  1
]