data_[V4Cr4Ga2Se16]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.3277]
_cell_length_b [7.4018]
_cell_length_c [10.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [V2Cr2GaSe8]
_chemical_formula_sum '[V4 Cr4 Ga2 Se16]'
_cell_volume [563.4375]
_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  0.2157  0.0000  0.6103  1.0
  Cr  Cr1  4  0.0000  0.2334  0.3836  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0059  1.0
  Se  Se3  4  0.0000  0.2523  0.6250  1.0
  Se  Se4  4  0.0000  0.2776  0.1376  1.0
  Se  Se5  4  0.2303  0.5000  0.3652  1.0
  Se  Se6  4  0.2434  0.0000  0.3755  1.0
]