data_[Na2Hf1In1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3274]
_cell_length_b [8.3189]
_cell_length_c [6.5095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2HfInCl8]
_chemical_formula_sum '[Na2 Hf1 In1 Cl8]'
_cell_volume [341.6224]
_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
[
  Na  Na0  2  0.5000  0.2490  0.5000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1989  0.2158  0.8389  1.0
  Cl  Cl4  2  0.2621  0.0000  0.2999  1.0
  Cl  Cl5  2  0.2868  0.5000  0.3108  1.0
]