data_KNb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.74
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Si
_chemical_formula_sum   'K1 Nb2 Si1'
_cell_volume   97.46
_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  0.94  0.0  0.36  1.0
  Nb  Nb1  1  0.62  0.87  0.48  1.0
  Nb  Nb2  1  0.25  0.87  0.25  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_KNb2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.74
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Si
_chemical_formula_sum   'K1 Nb2 Si1'
_cell_volume   97.46
_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  0.94  0.0  0.36  1.0
  Nb  Nb1  1  0.25  0.87  0.25  1.0
  Nb  Nb2  1  0.62  0.87  0.48  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

K Nb Nb Si