data_[Pr16As4H4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0918]
_cell_length_b [13.6408]
_cell_length_c [13.7839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr4AsHS2]
_chemical_formula_sum '[Pr16 As4 H4 S8]'
_cell_volume [769.3563]
_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
[
  Pr  Pr0  8  0.0000  0.2733  0.1214  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  4  0.0000  0.4462  0.7500  1.0
  As  As3  4  0.0000  0.1060  0.7500  1.0
  H  H4  4  0.0000  0.1593  0.2500  1.0
  S  S5  8  0.0000  0.3653  0.5635  1.0
]