data_[V1Zn1In1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.3897]
_cell_length_b [6.3897]
_cell_length_c [6.9550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [VZnInCl6]
_chemical_formula_sum '[V1 Zn1 In1 Cl6]'
_cell_volume [245.9207]
_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  0.3333  0.6667  0.5000  1.0
  Zn  Zn1  1  0.6667  0.3333  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  6  0.0109  0.3790  0.6989  1.0
]