data_[K2Ta2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9290]
_cell_length_b [6.5201]
_cell_length_c [6.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTaS3]
_chemical_formula_sum '[K2 Ta2 S6]'
_cell_volume [294.9647]
_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  0.2958  0.2500  0.6911  1
  Ta  Ta1  2  0.0775  0.7500  0.9622  1
  S  S2  4  0.1516  0.5054  0.2450  1
  S  S3  2  0.3464  0.7500  0.8577  1
]