data_AgPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   141.03
_cell_angle_beta   108.27
_cell_angle_gamma   84.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPtBr2
_chemical_formula_sum   'Ag1 Pt1 Br2'
_cell_volume   96.19
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.06  1.0
  Br  Br1  1  0.84  0.0  0.32  1.0
  Br  Br2  1  0.0  0.22  0.74  1.0

data_AgPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   71.73
_cell_angle_beta   70.52
_cell_angle_gamma   70.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPtBr2
_chemical_formula_sum   'Ag1 Pt1 Br2'
_cell_volume   96.19
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.06  1.0
  Br  Br2  1  0.0  0.16  0.32  1.0
  Br  Br3  1  0.22  0.0  0.52  1.0

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