data_KLaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaPt2
_chemical_formula_sum   'K1 La1 Pt2'
_cell_volume   127.32
_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  0.5  1.0
  La  La1  1  0.58  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.0  0.85  1.0
  Pt  Pt3  1  0.58  0.0  0.6  1.0

data_KLaPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KLaPt2
_chemical_formula_sum   'K1 La1 Pt2'
_cell_volume   127.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  1.0
  La  La1  1  0.58  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.0  0.85  1.0
  Pt  Pt3  1  0.58  0.0  0.6  1.0

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