data_AlCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.57
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Pt
_chemical_formula_sum   'Al1 Cu2 Pt1'
_cell_volume   53.86
_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  0.03  1.0
  Cu  Cu1  1  0.4  0.78  0.07  1.0
  Cu  Cu2  1  0.0  0.0  0.23  1.0
  Pt  Pt3  1  0.4  0.78  0.76  1.0

data_AlCu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.57
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Pt
_chemical_formula_sum   'Al1 Cu2 Pt1'
_cell_volume   53.86
_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  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.23  1.0
  Cu  Cu2  1  0.4  0.78  0.07  1.0
  Pt  Pt3  1  0.4  0.78  0.76  1.0

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