data_[K6Sr4Ta2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4907]
_cell_length_b [12.9583]
_cell_length_c [7.9979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Sr2TaSe6]
_chemical_formula_sum '[K6 Sr4 Ta2 Se12]'
_cell_volume [736.1585]
_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  0.1717  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  4  0.0000  0.3338  0.0000  1
  Ta  Ta3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2125  0.1443  0.2040  1
  Se  Se5  4  0.2173  0.0000  0.7973  1
]