data_GaPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.16
_cell_angle_alpha   97.52
_cell_angle_beta   97.52
_cell_angle_gamma   50.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Br
_chemical_formula_sum   'Ga1 Pt2 Br1'
_cell_volume   79.19
_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  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.4  0.0  0.02  1.0
  Pt  Pt3  1  0.15  0.0  0.08  1.0
  Br  Br0  1  0.27  0.0  0.05  1.0

data_GaPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.11
_cell_length_c   6.16
_cell_angle_alpha   97.52
_cell_angle_beta   90.0
_cell_angle_gamma   115.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Br
_chemical_formula_sum   'Ga1 Pt2 Br1'
_cell_volume   79.19
_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  Ga0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.6  0.98  1.0
  Pt  Pt2  1  0.0  0.85  0.92  1.0
  Br  Br3  1  0.0  0.73  0.95  1.0

Ga Pt Pt Br