data_K2LaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   156.86
_cell_angle_beta   149.54
_cell_angle_gamma   38.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaCu
_chemical_formula_sum   'K2 La1 Cu1'
_cell_volume   154.07
_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  0.41  0.74  1.0
  K  K2  1  0.84  0.0  0.93  1.0
  La  La3  1  0.0  0.0  0.67  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_K2LaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.83
_cell_length_c   9.18
_cell_angle_alpha   105.23
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaCu
_chemical_formula_sum   'K2 La1 Cu1'
_cell_volume   154.07
_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  0.93  0.09  1.0
  K  K1  1  0.59  0.33  0.33  1.0
  La  La2  1  0.0  0.67  0.67  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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