data_[K2Li2Ta4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5627]
_cell_length_b [2.7753]
_cell_length_c [7.7300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KLiTa2]
_chemical_formula_sum '[K2 Li2 Ta4]'
_cell_volume [204.9180]
_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  0.0014  0.5000  0.5021  1
  Li  Li1  2  0.2402  0.5000  0.1743  1
  Ta  Ta2  2  0.2662  0.0000  0.8438  1
  Ta  Ta3  2  0.4921  0.5000  0.9797  1
]