data_[Ta2V4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0899]
_cell_length_b [3.9509]
_cell_length_c [6.2808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(VPd4)2]
_chemical_formula_sum '[Ta2 V4 Pd16]'
_cell_volume [334.1516]
_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
  V  V1  4  0.2220  0.0000  0.6433  1.0
  Pd  Pd2  4  0.0443  0.0000  0.7321  1.0
  Pd  Pd3  4  0.1011  0.5000  0.4542  1.0
  Pd  Pd4  4  0.1418  0.0000  0.1945  1.0
  Pd  Pd5  4  0.1816  0.5000  0.9164  1.0
]