data_KLa2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   135.02
_cell_angle_beta   135.02
_cell_angle_gamma   65.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ta
_chemical_formula_sum   'K1 La2 Ta1'
_cell_volume   124.64
_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  0.0  1.0
  La  La1  1  0.42  0.0  0.66  1.0
  La  La2  1  0.0  0.0  0.32  1.0
  Ta  Ta3  1  0.0  0.42  0.66  1.0

data_KLa2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.33
_cell_angle_alpha   112.49
_cell_angle_beta   112.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ta
_chemical_formula_sum   'K1 La2 Ta1'
_cell_volume   124.64
_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  0.0  1.0
  La  La1  1  0.32  0.32  0.32  1.0
  La  La2  1  0.66  0.24  0.24  1.0
  Ta  Ta3  1  0.24  0.66  0.24  1.0

K La La Ta