data_[V4Ir4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.1587]
_cell_length_b [8.1587]
_cell_length_c [7.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [VIrSe4]
_chemical_formula_sum '[V4 Ir4 Se16]'
_cell_volume [510.0513]
_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
[
  V  V0  4  0.0000  0.0000  0.2459  1
  Ir  Ir1  4  0.0000  0.0000  0.7541  1
  Se  Se2  8  0.0000  0.3054  0.2536  1
  Se  Se3  8  0.0000  0.3068  0.7465  1
]