data_ScAlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlSe
_chemical_formula_sum   'Sc1 Al1 Se1'
_cell_volume   60.46
_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
  Sc  Sc1  1  0.27  0.31  0.7  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.62  0.0  1.0

data_ScAlSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlSe
_chemical_formula_sum   'Sc1 Al1 Se1'
_cell_volume   60.46
_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
  Sc  Sc0  1  0.7  0.27  0.31  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.62  1.0

Sc Al Se