data_AlCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   3.67
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoCu2
_chemical_formula_sum   'Al1 Co1 Cu2'
_cell_volume   48.77
_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
  Co  Co1  1  0.0  0.0  0.54  1.0
  Cu  Cu2  1  0.31  0.84  0.79  1.0
  Cu  Cu3  1  0.31  0.84  0.3  1.0

data_AlCoCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   3.67
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoCu2
_chemical_formula_sum   'Al1 Co1 Cu2'
_cell_volume   48.77
_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
  Co  Co1  1  0.0  0.0  0.54  1.0
  Cu  Cu2  1  0.31  0.84  0.3  1.0
  Cu  Cu3  1  0.31  0.84  0.79  1.0

Al Co Cu Cu
Al Co Cu Cu 0 2 o - - 0 3 o - o 1 3 o - o 1 2 o - o 