data_[V2Mo2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5593]
_cell_length_b [5.2603]
_cell_length_c [7.2270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VMoPd6]
_chemical_formula_sum '[V2 Mo2 Pd12]'
_cell_volume [271.1188]
_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
[
  V  V0  2  0.0000  0.5000  0.5000  1
  Mo  Mo1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1912  0.2539  0.3065  1
  Pd  Pd3  4  0.1449  0.5000  0.9359  1
]