data_AlV2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.97
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2In
_chemical_formula_sum   'Al1 V2 In1'
_cell_volume   65.74
_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  0.0  0.0  1.0
  V  V2  1  0.76  0.0  0.2  1.0
  V  V3  1  0.68  0.0  0.69  1.0
  In  In1  1  0.22  0.0  0.45  1.0

data_AlV2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.88
_cell_length_c   4.97
_cell_angle_alpha   99.67
_cell_angle_beta   90.0
_cell_angle_gamma   107.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2In
_chemical_formula_sum   'Al1 V2 In1'
_cell_volume   65.74
_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  0.0  0.0  1.0
  V  V1  1  0.0  0.24  0.8  1.0
  V  V2  1  0.0  0.32  0.31  1.0
  In  In3  1  0.0  0.78  0.55  1.0

Al V V In
Al V V In 0 2 - o - 0 1 - o o 0 3 o o o 1 2 o o o 1 2 o o - 1 3 + o o 2 3 o o o 