data_AlCu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.75
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   97.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Se
_chemical_formula_sum   'Al1 Cu2 Se1'
_cell_volume   62.93
_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  0.31  0.87  0.21  1.0
  Cu  Cu2  1  0.77  0.87  0.74  1.0
  Se  Se3  1  0.04  0.0  0.97  1.0

data_AlCu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.75
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   97.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu2Se
_chemical_formula_sum   'Al1 Cu2 Se1'
_cell_volume   62.93
_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  0.31  0.87  0.21  1.0
  Cu  Cu2  1  0.77  0.87  0.74  1.0
  Se  Se3  1  0.04  0.0  0.97  1.0

Al Cu Cu Se