data_[V2Ga1Au2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.3362]
_cell_length_b [3.3362]
_cell_length_c [18.9762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [V2Ga(AuSe2)2]
_chemical_formula_sum '[V2 Ga1 Au2 Se4]'
_cell_volume [182.9084]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9993  1
  V  V1  1  0.6667  0.3333  0.6441  1
  Ga  Ga2  1  0.0000  0.0000  0.3164  1
  Au  Au3  1  0.6667  0.3333  0.2204  1
  Au  Au4  1  0.6667  0.3333  0.4113  1
  Se  Se5  1  0.0000  0.0000  0.5598  1
  Se  Se6  1  0.0000  0.0000  0.7278  1
  Se  Se7  1  0.6667  0.3333  0.0819  1
  Se  Se8  1  0.6667  0.3333  0.9162  1
]