data_[V2Cr2Se4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4425]
_cell_length_b [4.4582]
_cell_length_c [13.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [VCrSe2S]
_chemical_formula_sum '[V2 Cr2 Se4 S2]'
_cell_volume [208.5124]
_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  0.6479  1
  Cr  Cr1  2  0.0000  0.0000  0.4558  1
  Se  Se2  2  0.0000  0.0000  0.2734  1
  Se  Se3  2  0.0000  0.0000  0.9825  1
  S  S4  2  0.0000  0.0000  0.6235  1
]