data_Hf2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   148.61
_cell_angle_beta   129.1
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VIn
_chemical_formula_sum   'Hf2 V1 In1'
_cell_volume   80.37
_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
  Hf  Hf0  1  0.0  0.52  0.82  1.0
  Hf  Hf1  1  0.0  0.0  0.54  1.0
  V  V3  1  0.0  0.0  0.58  1.0
  In  In2  1  0.0  0.52  0.19  1.0

data_Hf2VIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.03
_cell_length_c   5.85
_cell_angle_alpha   115.45
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VIn
_chemical_formula_sum   'Hf2 V1 In1'
_cell_volume   80.37
_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
  Hf  Hf0  1  0.18  0.69  0.69  1.0
  Hf  Hf1  1  0.46  0.46  0.46  1.0
  V  V2  1  0.42  0.42  0.42  1.0
  In  In3  1  0.81  0.32  0.32  1.0

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