data_[Ho2Pa1Ag1S6]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.3162]
_cell_length_b [6.3162]
_cell_length_c [6.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ho2PaAgS6]
_chemical_formula_sum '[Ho2 Pa1 Ag1 S6]'
_cell_volume [266.4903]
_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  0.9856  1
  Pa  Pa1  1  0.5000  0.5000  0.5911  1
  Ag  Ag2  1  0.0000  0.0000  0.5085  1
  S  S3  4  0.2433  0.2433  0.7581  1
  S  S4  1  0.0000  0.0000  0.1513  1
  S  S5  1  0.5000  0.5000  0.1925  1
]