data_[K2Hf1In1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0484]
_cell_length_b [3.8656]
_cell_length_c [7.5514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2HfInS4]
_chemical_formula_sum '[K2 Hf1 In1 S4]'
_cell_volume [196.9486]
_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
  Hf  Hf2  1  0.5000  0.5000  0.0000  1
  In  In3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2562  0.5000  0.1928  1
  S  S5  2  0.2864  0.0000  0.8059  1
]