data_K2LaTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   8.0
_cell_angle_alpha   157.13
_cell_angle_beta   127.13
_cell_angle_gamma   58.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaTa
_chemical_formula_sum   'K2 La1 Ta1'
_cell_volume   157.85
_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  0.5  1.0
  K  K1  1  0.59  0.0  0.51  1.0
  La  La2  1  0.0  0.0  0.77  1.0
  Ta  Ta3  1  0.0  0.56  0.17  1.0

data_K2LaTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   7.12
_cell_length_c   8.0
_cell_angle_alpha   116.44
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaTa
_chemical_formula_sum   'K2 La1 Ta1'
_cell_volume   157.85
_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  0.07  0.49  0.07  1.0
  K  K1  1  0.5  0.5  0.5  1.0
  La  La2  1  0.23  0.23  0.23  1.0
  Ta  Ta3  1  0.83  0.39  0.39  1.0

K K La Ta
K K La Ta 0 3 o - o 0 1 - o o 0 2 o o o 1 1 o + + 1 3 + - o 1 3 + o + 1 2 + o o 2 3 o o + 2 3 o - o 