data_[K2Ba2Te2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6747]
_cell_length_b [5.6188]
_cell_length_c [7.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KBaTeS2]
_chemical_formula_sum '[K2 Ba2 Te2 S4]'
_cell_volume [320.4638]
_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  0.0000  0.4915  0.2500  1
  Ba  Ba1  2  0.5000  0.2213  0.7500  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2983  0.2629  0.0649  1
]