data_[Hf4V2In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7968]
_cell_length_b [3.2494]
_cell_length_c [9.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4V2In5]
_chemical_formula_sum '[Hf4 V2 In5]'
_cell_volume [232.7772]
_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  2  0.1839  0.5000  0.8427  1
  Hf  Hf1  2  0.2371  0.5000  0.4277  1
  V  V2  2  0.0627  0.0000  0.6128  1
  In  In3  2  0.1532  0.0000  0.1351  1
  In  In4  2  0.4495  0.0000  0.6724  1
  In  In5  1  0.5000  0.0000  0.0000  1
]