data_AlAgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   130.52
_cell_angle_beta   126.49
_cell_angle_gamma   75.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgPt2
_chemical_formula_sum   'Al1 Ag1 Pt2'
_cell_volume   62.44
_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
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.72  1.0
  Pt  Pt2  1  0.97  0.0  0.77  1.0
  Pt  Pt3  1  0.0  0.12  0.95  1.0

data_AlAgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.25
_cell_length_c   4.72
_cell_angle_alpha   116.76
_cell_angle_beta   114.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgPt2
_chemical_formula_sum   'Al1 Ag1 Pt2'
_cell_volume   62.44
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.28  0.28  0.28  1.0
  Pt  Pt2  1  0.05  0.17  0.17  1.0
  Pt  Pt3  1  0.2  0.23  0.2  1.0

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