data_[Pr2Sc2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5066]
_cell_length_b [3.9430]
_cell_length_c [9.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrScPdSe3]
_chemical_formula_sum '[Pr2 Sc2 Pd2 Se6]'
_cell_volume [270.4377]
_cell_formula_units_Z [2]
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  2  0.2225  0.2500  0.2898  1.0
  Sc  Sc1  2  0.3119  0.7500  0.8247  1.0
  Pd  Pd2  2  0.1068  0.2500  0.5963  1.0
  Se  Se3  2  0.0725  0.2500  0.8584  1.0
  Se  Se4  2  0.3065  0.7500  0.5389  1.0
  Se  Se5  2  0.4216  0.7500  0.1338  1.0
]