data_[K4Ho4Pa4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.3173]
_cell_length_b [8.4557]
_cell_length_c [11.8287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [KHoPaS4]
_chemical_formula_sum '[K4 Ho4 Pa4 S16]'
_cell_volume [831.8950]
_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
[
  K  K0  4  0.0000  0.2500  0.8697  1
  Ho  Ho1  4  0.2500  0.2500  0.2500  1
  Pa  Pa2  4  0.0000  0.0000  0.5000  1
  S  S3  8  0.0000  0.0381  0.2710  1
  S  S4  8  0.2116  0.2500  0.4826  1
]