data_AgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   21.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPt2
_chemical_formula_sum   'Ag3 Pt6'
_cell_volume   145.41
_cell_formula_units_Z   3
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  0.62  0.57  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.4  0.81  0.78  1.0
  Pt  Pt3  1  0.4  0.81  0.97  1.0
  Pt  Pt4  1  0.0  0.62  0.38  1.0
  Pt  Pt5  1  0.0  0.0  0.19  1.0
  Pt  Pt6  1  0.0  0.62  0.52  1.0
  Pt  Pt7  1  0.4  0.81  0.83  1.0
  Pt  Pt8  1  0.0  0.0  0.16  1.0

data_AgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   21.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPt2
_chemical_formula_sum   'Ag3 Pt6'
_cell_volume   145.41
_cell_formula_units_Z   3
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
  Ag  Ag1  1  0.0  0.62  0.57  1.0
  Ag  Ag2  1  0.4  0.81  0.78  1.0
  Pt  Pt3  1  0.0  0.0  0.16  1.0
  Pt  Pt4  1  0.0  0.0  0.19  1.0
  Pt  Pt5  1  0.0  0.62  0.38  1.0
  Pt  Pt6  1  0.0  0.62  0.52  1.0
  Pt  Pt7  1  0.4  0.81  0.83  1.0
  Pt  Pt8  1  0.4  0.81  0.97  1.0

Ag Ag Ag Pt Pt Pt Pt Pt Pt
Ag Ag Ag Pt Pt Pt Pt Pt Pt 0 6 o o o 1 3 - - - 1 3 o - - 2 7 o o o 4 4 + + o 4 4 o + o 4 4 + o o 4 6 o o o 5 8 o o o 