data_Al2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   143.17
_cell_angle_beta   127.59
_cell_angle_gamma   65.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrSe
_chemical_formula_sum   'Al2 Cr1 Se1'
_cell_volume   62.99
_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  0.62  0.0  0.18  1.0
  Al  Al1  1  0.0  0.26  0.12  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.3  1.0

data_Al2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.52
_cell_length_c   5.12
_cell_angle_alpha   116.2
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrSe
_chemical_formula_sum   'Al2 Cr1 Se1'
_cell_volume   62.99
_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  0.18  0.56  1.0
  Al  Al1  1  0.74  0.86  0.86  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.3  0.3  1.0

Al Al Cr Se