data_BaVIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.81
_cell_length_b   10.81
_cell_length_c   10.81
_cell_angle_alpha   17.78
_cell_angle_beta   17.78
_cell_angle_gamma   17.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVIn2
_chemical_formula_sum   'Ba1 V1 In2'
_cell_volume   102.69
_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
  Ba  Ba0  1  0.0  0.0  0.95  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.46  1.0
  In  In2  1  0.0  0.0  0.44  1.0

data_BaVIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   10.81
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaVIn2
_chemical_formula_sum   'Ba2 V2 In4'
_cell_volume   205.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  -0.0  0.0  0.05  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  In  In2  2  -0.0  0.0  0.54  1.0
  In  In3  2  -0.0  0.0  0.56  1.0

Ba V In In
Ba V In In 0 1 o o + 2 3 o o o 