data_[Na6V4Cr2S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2867]
_cell_length_b [10.6440]
_cell_length_c [6.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3V2CrS6]
_chemical_formula_sum '[Na6 V4 Cr2 S12]'
_cell_volume [435.3579]
_cell_formula_units_Z [2]
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  0.1720  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  V  V2  4  0.0000  0.3449  0.0000  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2291  0.1665  0.1979  1
  S  S5  4  0.2429  0.5000  0.2082  1
]