data_[Pr4Ag4Ge4Te8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2480]
_cell_length_b [14.6357]
_cell_length_c [10.5810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrAgGeTe2S]
_chemical_formula_sum '[Pr4 Ag4 Ge4 Te8 S4]'
_cell_volume [657.8489]
_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  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.4840  0.2500  1
  Ge  Ge2  4  0.0000  0.2313  0.7500  1
  Te  Te3  8  0.0000  0.3410  0.0672  1
  S  S4  4  0.0000  0.0813  0.2500  1
]