data_[Hf10Zr4In2]
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 [Pbam]
_cell_length_a [6.4737]
_cell_length_b [12.8012]
_cell_length_c [4.3305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Hf5Zr2In]
_chemical_formula_sum '[Hf10 Zr4 In2]'
_cell_volume [358.8770]
_cell_formula_units_Z [2]
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  4  0.0076  0.7495  0.0000  1
  Hf  Hf1  4  0.2469  0.3753  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  Zr  Zr3  4  0.2399  0.1274  0.5000  1
  In  In4  2  0.0000  0.5000  0.0000  1
]