data_BaCdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   36.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdSi2
_chemical_formula_sum   'Ba1 Cd1 Si2'
_cell_volume   106.92
_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
  Ba  Ba0  1  0.92  0.0  0.02  1.0
  Cd  Cd1  1  0.0  0.0  0.89  1.0
  Si  Si2  1  0.92  0.0  0.69  1.0
  Si  Si3  1  0.0  0.0  0.25  1.0

data_BaCdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.29
_cell_length_c   6.85
_cell_angle_alpha   108.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdSi2
_chemical_formula_sum   'Ba1 Cd1 Si2'
_cell_volume   106.92
_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
  Ba  Ba0  1  0.08  0.02  0.02  1.0
  Cd  Cd1  1  0.0  0.89  0.89  1.0
  Si  Si2  1  0.0  0.25  0.25  1.0
  Si  Si3  1  0.08  0.69  0.69  1.0

Ba Cd Si Si