data_AgPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   151.38
_cell_angle_beta   129.42
_cell_angle_gamma   59.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPt2Br
_chemical_formula_sum   'Ag1 Pt2 Br1'
_cell_volume   71.56
_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
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.48  0.54  1.0
  Pt  Pt3  1  0.43  0.0  0.5  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_AgPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.95
_cell_length_c   5.8
_cell_angle_alpha   115.29
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPt2Br
_chemical_formula_sum   'Ag1 Pt2 Br1'
_cell_volume   71.56
_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
  Ag  Ag0  1  0.96  0.96  0.96  1.0
  Pt  Pt1  1  0.46  0.94  0.94  1.0
  Pt  Pt2  1  0.93  0.5  0.93  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ag Pt Pt Br
Ag Pt Pt Br 0 3 o o o 0 1 o - - 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o + + 1 3 o o o 1 2 o + + 1 2 o o o 2 3 o o o 2 3 + o + 2 2 o + + 