data_Ga2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PtBr
_chemical_formula_sum   'Ga2 Pt1 Br1'
_cell_volume   78.15
_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
  Ga  Ga1  1  0.64  0.64  0.14  1.0
  Ga  Ga2  1  0.64  0.64  0.1  1.0
  Pt  Pt3  1  0.0  0.0  0.62  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ga2PtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2PtBr
_chemical_formula_sum   'Ga4 Pt2 Br2'
_cell_volume   156.31
_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
  Ga  Ga0  2  0.14  0.5  0.1  1.0
  Ga  Ga1  2  0.14  0.5  0.14  1.0
  Pt  Pt2  2  0.0  0.0  0.62  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ga Ga Pt Br
Ga Ga Pt Br 0 1 o o o 0 3 + + o 1 3 + + o 2 2 + o o 2 2 o + o 2 3 o o + 