data_[Pr24Sb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2704]
_cell_length_b [13.9122]
_cell_length_c [21.6930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr6SbSe4]
_chemical_formula_sum '[Pr24 Sb4 Se16]'
_cell_volume [1288.7894]
_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  0.0540  0.1637  1
  Pr  Pr1  8  0.0000  0.2278  0.5938  1
  Pr  Pr2  4  0.0000  0.3421  0.2500  1
  Pr  Pr3  4  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.0000  0.3269  0.7500  1
  Se  Se5  8  0.0000  0.1424  0.0372  1
  Se  Se6  8  0.0000  0.4153  0.1243  1
]