data_KLaNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   2.85
_cell_angle_alpha   96.95
_cell_angle_beta   96.95
_cell_angle_gamma   125.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaNb2
_chemical_formula_sum   'K1 La1 Nb2'
_cell_volume   98.9
_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  0.05  0.0  0.0  1.0
  Nb  Nb2  1  0.15  0.05  0.37  1.0
  Nb  Nb3  1  0.15  0.95  0.37  1.0

data_KLaNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   6.01
_cell_length_c   6.64
_cell_angle_alpha   114.09
_cell_angle_beta   96.95
_cell_angle_gamma   101.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaNb2
_chemical_formula_sum   'K1 La1 Nb2'
_cell_volume   98.9
_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  0.0  0.0  0.05  1.0
  Nb  Nb2  1  0.33  0.95  0.1  1.0
  Nb  Nb3  1  0.42  0.05  0.2  1.0

K La Nb Nb