data_KLiTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   136.43
_cell_angle_beta   136.43
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiTa2
_chemical_formula_sum   'K1 Li1 Ta2'
_cell_volume   98.55
_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  0.0  0.0  0.06  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.21  0.0  0.53  1.0
  Ta  Ta3  1  0.0  0.21  0.53  1.0

data_KLiTa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   121.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLiTa2
_chemical_formula_sum   'K2 Li2 Ta4'
_cell_volume   197.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.06  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ta  Ta2  4  0.4  0.4  0.32  1.0

K Li Ta Ta