data_[Pr12As4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4622]
_cell_length_b [14.2209]
_cell_length_c [7.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3AsSe6]
_chemical_formula_sum '[Pr12 As4 Se24]'
_cell_volume [1205.0284]
_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  0.1843  0.0985  0.9775  1.0
  Pr  Pr1  4  0.0000  0.3987  0.8971  1.0
  As  As2  4  0.0000  0.1886  0.5378  1.0
  Se  Se3  8  0.1619  0.4737  0.1877  1.0
  Se  Se4  8  0.1662  0.2608  0.6955  1.0
  Se  Se5  4  0.0000  0.0276  0.6983  1.0
  Se  Se6  4  0.0000  0.2212  0.1309  1.0
]