data_[K2Y1Hf1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7577]
_cell_length_b [3.8694]
_cell_length_c [7.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2YHfS4]
_chemical_formula_sum '[K2 Y1 Hf1 S4]'
_cell_volume [193.2709]
_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
[
  K  K0  1  0.0000  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Y  Y2  1  0.0000  0.0000  0.0000  1
  Hf  Hf3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2501  0.5000  0.2029  1
  S  S5  2  0.2822  0.0000  0.8029  1
]