data_[Mn2Nb2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3534]
_cell_length_b [2.8745]
_cell_length_c [7.6100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnNbPd4]
_chemical_formula_sum '[Mn2 Nb2 Pd8]'
_cell_volume [186.7497]
_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  0.0000  0.0000  0.5000  1
  Nb  Nb1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1586  0.5000  0.3358  1
  Pd  Pd3  4  0.1681  0.5000  0.8283  1
]