data_[Li4Y4Hf4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8608]
_cell_length_b [8.2277]
_cell_length_c [11.4456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiYHfSe4]
_chemical_formula_sum '[Li4 Y4 Hf4 Se16]'
_cell_volume [740.2550]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.6250  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Hf  Hf2  4  0.2500  0.2500  0.2500  1.0
  Se  Se3  8  0.0000  0.0224  0.2513  1.0
  Se  Se4  8  0.2499  0.2500  0.0162  1.0
]