data_[Ta4V4Pd4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4236]
_cell_length_b [7.8198]
_cell_length_c [10.5181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TaVPdSe4]
_chemical_formula_sum '[Ta4 V4 Pd4 Se16]'
_cell_volume [610.5823]
_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
[
  Ta  Ta0  4  0.2500  0.2500  0.2500  1
  V  V1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.0000  0.2500  0.6266  1
  Se  Se3  8  0.0000  0.0135  0.2456  1
  Se  Se4  8  0.2265  0.2500  0.0039  1
]