data_Al2BPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   2.8
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BPt
_chemical_formula_sum   'Al2 B1 Pt1'
_cell_volume   53.35
_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  0.99  0.4  0.41  1.0
  Al  Al1  1  0.12  0.4  0.31  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.38  0.0  0.86  1.0

data_Al2BPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.33
_cell_length_c   5.85
_cell_angle_alpha   102.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BPt
_chemical_formula_sum   'Al2 B1 Pt1'
_cell_volume   53.35
_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  0.6  0.01  0.59  1.0
  Al  Al1  1  0.6  0.88  0.69  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.62  0.14  1.0

Al Al B Pt