data_[Na4V4In8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8321]
_cell_length_b [16.8307]
_cell_length_c [15.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaVIn2Cl5]
_chemical_formula_sum '[Na4 V4 In8 Cl20]'
_cell_volume [1007.2077]
_cell_formula_units_Z [4]
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  4  0.0000  0.4994  0.9572  1.0
  V  V1  4  0.0000  0.1960  0.0199  1.0
  In  In2  4  0.0000  0.0734  0.6958  1.0
  In  In3  4  0.0000  0.1811  0.3054  1.0
  Cl  Cl4  4  0.0000  0.0505  0.0646  1.0
  Cl  Cl5  4  0.0000  0.2733  0.6172  1.0
  Cl  Cl6  4  0.0000  0.3339  0.9609  1.0
  Cl  Cl7  4  0.0000  0.3375  0.4177  1.0
  Cl  Cl8  4  0.0000  0.4721  0.7852  1.0
]