data_[Hf6Zr2In8]
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 [Pmna]
_cell_length_a [8.7852]
_cell_length_b [6.3734]
_cell_length_c [6.3644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Hf3ZrIn4]
_chemical_formula_sum '[Hf6 Zr2 In8]'
_cell_volume [356.3533]
_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  0.2500  0.2472  0.2500  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Zr  Zr2  2  0.0000  0.5000  0.5000  1.0
  In  In3  4  0.2500  0.2504  0.7500  1.0
  In  In4  2  0.0000  0.0000  0.0000  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]