data_KLaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   135.44
_cell_angle_beta   135.44
_cell_angle_gamma   64.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaSi2
_chemical_formula_sum   'K1 La1 Si2'
_cell_volume   102.69
_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  0.03  1.0
  La  La1  1  0.0  0.26  0.52  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.26  0.0  0.52  1.0

data_KLaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.96
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaSi2
_chemical_formula_sum   'K1 La1 Si2'
_cell_volume   102.69
_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  0.97  0.0  0.97  1.0
  La  La1  1  0.74  0.26  0.74  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.48  0.0  0.74  1.0

K La Si Si
K La Si Si 0 2 o o o 1 3 o o o 