data_AlCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   138.49
_cell_angle_beta   138.49
_cell_angle_gamma   60.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuSn2
_chemical_formula_sum   'Al1 Cu1 Sn2'
_cell_volume   84.3
_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
  Cu  Cu1  1  0.05  0.0  0.5  1.0
  Sn  Sn2  1  0.0  0.0  0.01  1.0
  Sn  Sn3  1  0.0  0.05  0.5  1.0

data_AlCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.79
_cell_angle_alpha   110.76
_cell_angle_beta   110.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuSn2
_chemical_formula_sum   'Al1 Cu1 Sn2'
_cell_volume   84.3
_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
  Cu  Cu1  1  0.5  0.0  0.55  1.0
  Sn  Sn2  1  0.55  0.05  0.55  1.0
  Sn  Sn3  1  0.99  0.0  0.99  1.0

Al Cu Sn Sn