data_[V6Rh4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9045]
_cell_length_b [7.2342]
_cell_length_c [6.1401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3(RhSe4)2]
_chemical_formula_sum '[V6 Rh4 Se16]'
_cell_volume [519.5103]
_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  4  0.0000  0.2805  0.0000  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Rh  Rh2  4  0.2199  0.5000  0.0128  1
  Se  Se3  8  0.1480  0.2258  0.7557  1
  Se  Se4  4  0.0890  0.5000  0.2843  1
  Se  Se5  4  0.1133  0.0000  0.1951  1
]