data_[Pr8Mn4Sn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1722]
_cell_length_b [17.8122]
_cell_length_c [12.6398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2MnSnSe5]
_chemical_formula_sum '[Pr8 Mn4 Sn4 Se20]'
_cell_volume [939.3351]
_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  0.1145  0.6927  1.0
  Pr  Pr1  4  0.0000  0.1303  0.3435  1.0
  Mn  Mn2  4  0.0000  0.4569  0.4209  1.0
  Sn  Sn3  4  0.0000  0.1792  0.0417  1.0
  Se  Se4  4  0.0000  0.0043  0.5059  1.0
  Se  Se5  4  0.0000  0.2885  0.7023  1.0
  Se  Se6  4  0.0000  0.3238  0.3547  1.0
  Se  Se7  4  0.0000  0.3354  0.0194  1.0
  Se  Se8  4  0.0000  0.4837  0.7429  1.0
]