data_Sc2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.01
_cell_angle_alpha   109.55
_cell_angle_beta   109.55
_cell_angle_gamma   32.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlV
_chemical_formula_sum   'Sc2 Al1 V1'
_cell_volume   76.48
_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  0.1  0.0  0.25  1.0
  Sc  Sc2  1  0.25  0.0  0.26  1.0
  Al  Al0  1  0.8  0.0  0.06  1.0
  V  V3  1  0.14  0.0  0.47  1.0

data_Sc2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.01
_cell_length_c   5.52
_cell_angle_alpha   109.55
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlV
_chemical_formula_sum   'Sc2 Al1 V1'
_cell_volume   76.48
_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  0.25  0.1  1.0
  Sc  Sc1  1  0.0  0.26  0.25  1.0
  Al  Al2  1  0.0  0.06  0.8  1.0
  V  V3  1  0.0  0.47  0.14  1.0

Sc Sc Al V
Sc Sc Al V 0 1 o o o 0 2 - o o 0 3 o o o 