data_K2LaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   6.69
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   96.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaNi
_chemical_formula_sum   'K2 La1 Ni1'
_cell_volume   135.65
_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  0.59  0.35  0.55  1.0
  K  K1  1  0.36  0.35  1.0  1.0
  La  La2  1  0.98  0.0  0.27  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_K2LaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.58
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaNi
_chemical_formula_sum   'K2 La1 Ni1'
_cell_volume   135.65
_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  0.41  0.45  0.65  1.0
  K  K1  1  0.64  0.0  0.65  1.0
  La  La2  1  0.02  0.73  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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