data_ScV2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   142.25
_cell_angle_beta   127.73
_cell_angle_gamma   66.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2In
_chemical_formula_sum   'Sc1 V2 In1'
_cell_volume   72.0
_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  0.0  0.0  0.07  1.0
  V  V2  1  0.0  0.34  0.26  1.0
  V  V3  1  0.0  0.0  0.95  1.0
  In  In0  1  0.0  0.34  0.08  1.0

data_ScV2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.69
_cell_length_c   5.32
_cell_angle_alpha   116.14
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2In
_chemical_formula_sum   'Sc1 V2 In1'
_cell_volume   72.0
_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  0.07  0.07  1.0
  V  V1  1  0.0  0.95  0.95  1.0
  V  V2  1  0.66  0.92  0.92  1.0
  In  In3  1  0.66  0.74  0.74  1.0

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