data_[Mn4Be2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0077]
_cell_length_b [4.4334]
_cell_length_c [5.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2BePd8]
_chemical_formula_sum '[Mn4 Be2 Pd16]'
_cell_volume [329.1044]
_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  4  0.1911  0.0000  0.6823  1.0
  Be  Be1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0099  0.0000  0.7533  1.0
  Pd  Pd3  4  0.1182  0.5000  0.4012  1.0
  Pd  Pd4  4  0.1396  0.5000  0.8989  1.0
  Pd  Pd5  4  0.1818  0.0000  0.2040  1.0
]