data_ScAlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlCr2
_chemical_formula_sum   'Sc1 Al1 Cr2'
_cell_volume   58.89
_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  Sc3  1  0.68  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.34  0.1  0.31  1.0
  Cr  Cr2  1  0.34  0.9  0.31  1.0

data_ScAlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   115.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlCr2
_chemical_formula_sum   'Sc1 Al1 Cr2'
_cell_volume   58.89
_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  0.0  0.68  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.31  0.34  0.1  1.0
  Cr  Cr3  1  0.31  0.34  0.9  1.0

Sc Al Cr Cr