data_CdSiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   146.81
_cell_angle_beta   146.81
_cell_angle_gamma   47.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiBr
_chemical_formula_sum   'Cd1 Si1 Br1'
_cell_volume   69.77
_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  Cd1  1  0.0  0.0  0.53  1.0
  Si  Si2  1  0.0  0.0  0.68  1.0
  Br  Br0  1  0.0  0.0  0.06  1.0

data_CdSiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   113.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSiBr
_chemical_formula_sum   'Cd2 Si2 Br2'
_cell_volume   139.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.47  1.0
  Si  Si1  2  0.0  0.0  0.32  1.0
  Br  Br2  2  0.0  0.0  0.94  1.0

Cd Si Br
Cd Si Br 0 1 o o o 1 2 o o + 