data_Si2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.73
_cell_angle_beta   120.73
_cell_angle_gamma   88.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtBr
_chemical_formula_sum   'Si2 Pt1 Br1'
_cell_volume   70.11
_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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.3  0.0  0.66  1.0
  Pt  Pt1  1  0.0  0.3  0.66  1.0
  Br  Br0  1  0.0  0.0  0.32  1.0

data_Si2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.65
_cell_angle_alpha   119.63
_cell_angle_beta   119.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtBr
_chemical_formula_sum   'Si2 Pt1 Br1'
_cell_volume   70.11
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.34  0.0  0.64  1.0
  Pt  Pt2  1  0.64  0.3  0.64  1.0
  Br  Br3  1  0.68  0.0  0.68  1.0

Si Si Pt Br