data_[Pr8In4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1900]
_cell_length_b [18.2629]
_cell_length_c [12.0206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2InAgSe5]
_chemical_formula_sum '[Pr8 In4 Ag4 Se20]'
_cell_volume [919.8326]
_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  0.1185  0.3031  1.0
  Pr  Pr1  4  0.0000  0.1244  0.6806  1.0
  In  In2  4  0.0000  0.4093  0.4789  1.0
  Ag  Ag3  4  0.0000  0.2262  0.0078  1.0
  Se  Se4  4  0.0000  0.0337  0.0791  1.0
  Se  Se5  4  0.0000  0.2982  0.3329  1.0
  Se  Se6  4  0.0000  0.3012  0.6625  1.0
  Se  Se7  4  0.0000  0.3693  0.9942  1.0
  Se  Se8  4  0.0000  0.4871  0.2848  1.0
]