data_[Na1Ca2V1Cl8]
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 [P2/m]
_cell_length_a [6.0793]
_cell_length_b [8.2616]
_cell_length_c [6.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCa2VCl8]
_chemical_formula_sum '[Na1 Ca2 V1 Cl8]'
_cell_volume [318.5657]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2497  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2140  0.2104  0.8401  1.0
  Cl  Cl4  2  0.2489  0.0000  0.3069  1.0
  Cl  Cl5  2  0.2761  0.5000  0.3334  1.0
]