data_TaVIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   145.14
_cell_angle_beta   129.86
_cell_angle_gamma   62.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVIn2
_chemical_formula_sum   'Ta1 V1 In2'
_cell_volume   76.72
_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
  Ta  Ta2  1  0.0  0.38  0.53  1.0
  V  V3  1  0.0  0.0  0.38  1.0
  In  In0  1  0.0  0.38  0.14  1.0
  In  In1  1  0.0  0.0  0.33  1.0

data_TaVIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.76
_cell_length_c   5.61
_cell_angle_alpha   115.07
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVIn2
_chemical_formula_sum   'Ta1 V1 In2'
_cell_volume   76.72
_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
  Ta  Ta0  1  0.47  0.84  0.84  1.0
  V  V1  1  0.62  0.62  0.62  1.0
  In  In2  1  0.67  0.67  0.67  1.0
  In  In3  1  0.86  0.23  0.23  1.0

Ta V In In