data_[Mn4Pd4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7812]
_cell_length_b [5.3935]
_cell_length_c [9.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MnPdC]
_chemical_formula_sum '[Mn4 Pd4 C4]'
_cell_volume [136.2089]
_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
[
  Mn  Mn0  4  0.0000  0.2566  0.8658  1
  Pd  Pd1  2  0.0000  0.5000  0.1277  1
  Pd  Pd2  2  0.0000  0.5000  0.6036  1
  C  C3  2  0.0000  0.0000  0.4380  1
  C  C4  2  0.0000  0.5000  0.3632  1
]