data_[Li2Ca1Hf1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5401]
_cell_length_b [6.8453]
_cell_length_c [8.0331]
_cell_angle_alpha [72.8883]
_cell_angle_beta [88.4442]
_cell_angle_gamma [77.7379]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CaHfCl8]
_chemical_formula_sum '[Li2 Ca1 Hf1 Cl8]'
_cell_volume [335.6300]
_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
[
  Li  Li0  2  0.4618  0.3578  0.6841  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1263  0.1994  0.1703  1.0
  Cl  Cl4  2  0.1295  0.2143  0.7225  1.0
  Cl  Cl5  2  0.3360  0.7520  0.0495  1.0
  Cl  Cl6  2  0.3693  0.7237  0.5553  1.0
]