data_[V2Pd2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1821]
_cell_length_b [6.7286]
_cell_length_c [6.9486]
_cell_angle_alpha [101.5618]
_cell_angle_beta [101.2692]
_cell_angle_gamma [98.3846]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VPdS2]
_chemical_formula_sum '[V2 Pd2 S4]'
_cell_volume [140.2756]
_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  1  0.1716  0.5133  0.7585  1.0
  V  V1  1  0.8874  0.7733  0.0346  1.0
  Pd  Pd2  1  0.0122  0.5811  0.3631  1.0
  Pd  Pd3  1  0.5518  0.1558  0.1534  1.0
  S  S4  1  0.3212  0.8762  0.8246  1.0
  S  S5  1  0.5291  0.3712  0.5078  1.0
  S  S6  1  0.5299  0.8565  0.2989  1.0
  S  S7  1  0.7275  0.4162  0.9666  1.0
]