data_K2BaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   132.57
_cell_angle_beta   132.57
_cell_angle_gamma   69.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaLa
_chemical_formula_sum   'K2 Ba1 La1'
_cell_volume   231.75
_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  K1  1  0.0  0.05  0.12  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.0  0.0  0.23  1.0
  La  La3  1  0.05  0.0  0.12  1.0

data_K2BaLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   7.58
_cell_angle_alpha   113.71
_cell_angle_beta   113.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaLa
_chemical_formula_sum   'K2 Ba1 La1'
_cell_volume   231.75
_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
  K  K1  1  0.93  0.05  0.93  1.0
  Ba  Ba2  1  0.77  0.0  0.77  1.0
  La  La3  1  0.88  0.0  0.93  1.0

K K Ba La
K K Ba La 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 