data_[Hf4Nb2In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8873]
_cell_length_b [3.0757]
_cell_length_c [9.9927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Nb2In5]
_chemical_formula_sum '[Hf4 Nb2 In5]'
_cell_volume [240.8603]
_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  0.1647  0.5000  0.8751  1.0
  Hf  Hf1  2  0.2897  0.5000  0.4393  1.0
  Nb  Nb2  2  0.0544  0.0000  0.6242  1.0
  In  In3  2  0.1835  0.0000  0.1567  1.0
  In  In4  2  0.4290  0.0000  0.6995  1.0
  In  In5  1  0.5000  0.0000  0.0000  1.0
]