data_[Na6Ca3V3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8648]
_cell_length_b [6.8648]
_cell_length_c [18.1363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2CaVCl6]
_chemical_formula_sum '[Na6 Ca3 V3 Cl18]'
_cell_volume [740.1767]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.0217  1.0
  Na  Na1  3  0.0000  0.0000  0.5261  1.0
  Ca  Ca2  3  0.0000  0.0000  0.8198  1.0
  V  V3  3  0.0000  0.0000  0.3241  1.0
  Cl  Cl4  9  0.0272  0.7240  0.4082  1.0
  Cl  Cl5  9  0.0501  0.3404  0.9151  1.0
]