data_[Ho2Pa2S7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-4m2]
_cell_length_a [4.5926]
_cell_length_b [4.5926]
_cell_length_c [12.9442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ho2Pa2S7]
_chemical_formula_sum '[Ho2 Pa2 S7]'
_cell_volume [273.0226]
_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
[
  Ho  Ho0  2  0.0000  0.5000  0.1379  1
  Pa  Pa1  2  0.0000  0.5000  0.6253  1
  S  S2  2  0.0000  0.0000  0.2359  1
  S  S3  2  0.5000  0.5000  0.2565  1
  S  S4  1  0.0000  0.0000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
  S  S6  1  0.5000  0.5000  0.5000  1
]