data_BeAl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.51
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Pt
_chemical_formula_sum   'Be1 Al2 Pt1'
_cell_volume   54.48
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.47  0.75  0.02  1.0
  Al  Al1  1  0.47  0.75  0.27  1.0
  Pt  Pt3  1  0.0  0.0  0.64  1.0

data_BeAl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.51
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Pt
_chemical_formula_sum   'Be1 Al2 Pt1'
_cell_volume   54.48
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.47  0.75  0.02  1.0
  Al  Al2  1  0.47  0.75  0.27  1.0
  Pt  Pt3  1  0.0  0.0  0.64  1.0

Be Al Al Pt
Be Al Al Pt 0 1 - - o 0 1 o - o 0 3 o o - 1 2 o o o 