data_[K2Ce2V2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6616]
_cell_length_b [6.4695]
_cell_length_c [8.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCeVS4]
_chemical_formula_sum '[K2 Ce2 V2 S8]'
_cell_volume [362.6296]
_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  2  0.2748  0.2500  0.0647  1
  Ce  Ce1  2  0.2368  0.2500  0.5525  1
  V  V2  2  0.2227  0.7500  0.3215  1
  S  S3  4  0.0045  0.5077  0.7131  1
  S  S4  2  0.4152  0.7500  0.5736  1
  S  S5  2  0.4228  0.7500  0.1632  1
]