data_[K6Sr4Ta2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1977]
_cell_length_b [12.4530]
_cell_length_c [7.6709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sr2TaS6]
_chemical_formula_sum '[K6 Sr4 Ta2 S12]'
_cell_volume [651.8268]
_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  0.0000  0.1696  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  4  0.0000  0.3335  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2101  0.1428  0.2008  1.0
  S  S5  4  0.2164  0.0000  0.8012  1.0
]