data_[K1Li1Ta2]
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 [P2/m]
_cell_length_a [2.9233]
_cell_length_b [6.0902]
_cell_length_c [5.0181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiTa2]
_chemical_formula_sum '[K1 Li1 Ta2]'
_cell_volume [88.4568]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.5000  0.0000  1
  Ta  Ta2  2  0.2626  0.0000  0.2348  1
]