data_[Mn2Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4419]
_cell_length_b [3.4714]
_cell_length_c [18.5166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnPdSe4]
_chemical_formula_sum '[Mn2 Pd2 Se8]'
_cell_volume [799.7359]
_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
[
  Mn  Mn0  2  0.0689  0.0000  0.4853  1
  Pd  Pd1  2  0.3580  0.5000  0.5547  1
  Se  Se2  2  0.0016  0.5000  0.5782  1
  Se  Se3  2  0.1752  0.5000  0.4193  1
  Se  Se4  2  0.2228  0.0000  0.5744  1
  Se  Se5  2  0.4919  0.0000  0.3882  1
]