data_CdSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.01
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Br
_chemical_formula_sum   'Cd1 Si2 Br1'
_cell_volume   87.29
_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  0.46  0.51  0.33  1.0
  Si  Si2  1  0.45  0.0  0.53  1.0
  Si  Si3  1  0.13  0.51  0.68  1.0
  Br  Br0  1  0.01  0.0  0.31  1.0

data_CdSi2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   5.01
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdSi2Br
_chemical_formula_sum   'Cd1 Si2 Br1'
_cell_volume   87.29
_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
  Cd  Cd0  1  0.46  0.5  0.33  1.0
  Si  Si1  1  0.13  0.5  0.68  1.0
  Si  Si2  1  0.45  0.0  0.53  1.0
  Br  Br3  1  0.01  0.0  0.31  1.0

Cd Si Si Br
Cd Si Si Br 0 3 o o o 0 3 o + o 0 1 o o o 0 1 o + o 0 2 o o o 0 2 + o o 1 3 o o o 1 2 o o o 1 2 o - o 