data_Al2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   134.43
_cell_angle_beta   134.43
_cell_angle_gamma   66.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BPt
_chemical_formula_sum   'Al2 B1 Pt1'
_cell_volume   53.08
_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  0.96  1.0
  Al  Al1  1  0.0  0.83  0.98  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.83  0.0  0.98  1.0

data_Al2BPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   4.73
_cell_angle_alpha   112.78
_cell_angle_beta   112.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BPt
_chemical_formula_sum   'Al2 B1 Pt1'
_cell_volume   53.08
_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  0.15  0.98  0.15  1.0
  Al  Al1  1  0.96  0.96  0.96  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.98  0.15  0.15  1.0

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