data_AlVIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   148.73
_cell_angle_beta   141.44
_cell_angle_gamma   50.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVIn
_chemical_formula_sum   'Al1 V1 In1'
_cell_volume   52.55
_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  0.65  1.0
  V  V2  1  0.0  0.0  0.48  1.0
  In  In1  1  0.0  0.0  0.64  1.0

data_AlVIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.61
_cell_length_c   5.46
_cell_angle_alpha   109.28
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVIn
_chemical_formula_sum   'Al1 V1 In1'
_cell_volume   52.55
_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  0.35  0.35  0.35  1.0
  V  V1  1  0.52  0.52  0.52  1.0
  In  In2  1  0.36  0.36  0.36  1.0

Al V In
Al V In 0 2 o o o 0 1 o o o 1 2 o o o 