data_[Hf2Zr4In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9705]
_cell_length_b [3.1754]
_cell_length_c [10.0709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf2Zr4In5]
_chemical_formula_sum '[Hf2 Zr4 In5]'
_cell_volume [253.7174]
_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  0.0627  0.0000  0.6303  1
  Zr  Zr1  2  0.1643  0.5000  0.8829  1
  Zr  Zr2  2  0.2989  0.5000  0.4493  1
  In  In3  2  0.1875  0.0000  0.1616  1
  In  In4  2  0.4350  0.0000  0.7053  1
  In  In5  1  0.5000  0.0000  0.0000  1
]