data_[Ti4V4Ga2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.9810]
_cell_length_b [7.0285]
_cell_length_c [9.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ti2V2GaS8]
_chemical_formula_sum '[Ti4 V4 Ga2 S16]'
_cell_volume [488.3378]
_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
[
  Ti  Ti0  4  0.0000  0.2263  0.3922  1.0
  V  V1  4  0.2182  0.0000  0.6108  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0028  1.0
  S  S3  4  0.0000  0.2528  0.6269  1.0
  S  S4  4  0.0000  0.2749  0.1327  1.0
  S  S5  4  0.2366  0.5000  0.3624  1.0
  S  S6  4  0.2488  0.0000  0.3736  1.0
]