data_[La8Pr4Mn4Se20]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1624]
_cell_length_b [17.7126]
_cell_length_c [12.7380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PrMnSe5]
_chemical_formula_sum '[La8 Pr4 Mn4 Se20]'
_cell_volume [939.1352]
_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  0.1195  0.6927  1.0
  La  La1  4  0.0000  0.1205  0.3459  1.0
  Pr  Pr2  4  0.0000  0.1810  0.0270  1.0
  Mn  Mn3  4  0.0000  0.4493  0.4237  1.0
  Se  Se4  4  0.0000  0.0124  0.0162  1.0
  Se  Se5  4  0.0000  0.3014  0.6938  1.0
  Se  Se6  4  0.0000  0.3149  0.3559  1.0
  Se  Se7  4  0.0000  0.3472  0.0182  1.0
  Se  Se8  4  0.0000  0.4932  0.7505  1.0
]