data_KLaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   6.18
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaSb2
_chemical_formula_sum   'K1 La1 Sb2'
_cell_volume   123.63
_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  0.76  0.0  0.08  1.0
  La  La1  1  0.44  0.09  0.24  1.0
  Sb  Sb2  1  0.09  0.0  0.15  1.0
  Sb  Sb3  1  0.71  0.09  0.3  1.0

data_KLaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.85
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaSb2
_chemical_formula_sum   'K1 La1 Sb2'
_cell_volume   123.63
_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  0.24  0.92  0.0  1.0
  La  La1  1  0.56  0.76  0.91  1.0
  Sb  Sb2  1  0.29  0.7  0.91  1.0
  Sb  Sb3  1  0.91  0.85  0.0  1.0

K La Sb Sb
K La Sb Sb 0 3 o o o 0 2 + o o 1 3 o o o 