data_[Na4Sc4V4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7729]
_cell_length_b [13.0362]
_cell_length_c [9.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaScVS3]
_chemical_formula_sum '[Na4 Sc4 V4 S12]'
_cell_volume [490.1392]
_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  0.2535  0.2500  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  V  V2  4  0.0000  0.4694  0.7500  1
  S  S3  8  0.0000  0.3699  0.5623  1
  S  S4  4  0.0000  0.0724  0.7500  1
]