data_[Ta2Mn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0739]
_cell_length_b [4.0070]
_cell_length_c [6.2723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(MnPd4)2]
_chemical_formula_sum '[Ta2 Mn4 Pd16]'
_cell_volume [338.7259]
_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
[
  Ta  Ta0  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  4  0.2233  0.0000  0.6484  1.0
  Pd  Pd2  4  0.0429  0.0000  0.7296  1.0
  Pd  Pd3  4  0.0976  0.5000  0.4511  1.0
  Pd  Pd4  4  0.1396  0.0000  0.1875  1.0
  Pd  Pd5  4  0.1797  0.5000  0.9155  1.0
]