data_[La8Pr4Zn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1383]
_cell_length_b [17.9485]
_cell_length_c [12.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PrZnSe5]
_chemical_formula_sum '[La8 Pr4 Zn4 Se20]'
_cell_volume [947.0909]
_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
[
  La  La0  4  0.0000  0.1194  0.6912  1.0
  La  La1  4  0.0000  0.1210  0.3428  1.0
  Pr  Pr2  4  0.0000  0.1853  0.0279  1.0
  Zn  Zn3  4  0.0000  0.4514  0.4234  1.0
  Se  Se4  4  0.0000  0.0178  0.0197  1.0
  Se  Se5  4  0.0000  0.3009  0.6943  1.0
  Se  Se6  4  0.0000  0.3170  0.3562  1.0
  Se  Se7  4  0.0000  0.3493  0.0169  1.0
  Se  Se8  4  0.0000  0.4932  0.7514  1.0
]