data_[K4Na2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.8298]
_cell_length_b [7.4097]
_cell_length_c [7.3051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2NaVS4]
_chemical_formula_sum '[K4 Na2 V2 S8]'
_cell_volume [477.9428]
_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
[
  K  K0  4  0.2493  0.2129  0.5304  1.0
  Na  Na1  2  0.0000  0.7575  0.4958  1.0
  V  V2  2  0.0000  0.2016  0.9907  1.0
  S  S3  4  0.2011  0.3648  0.9634  1.0
  S  S4  2  0.0000  0.0549  0.2486  1.0
  S  S5  2  0.0000  0.9993  0.7772  1.0
]