data_K2ZrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrSi
_chemical_formula_sum   'K2 Zr1 Si1'
_cell_volume   118.31
_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  0.46  0.97  0.68  1.0
  K  K1  1  0.46  0.03  0.68  1.0
  Zr  Zr3  1  0.91  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_K2ZrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.82
_cell_length_c   6.72
_cell_angle_alpha   115.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrSi
_chemical_formula_sum   'K2 Zr1 Si1'
_cell_volume   118.31
_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  0.68  0.03  0.48  1.0
  K  K1  1  0.68  0.97  0.43  1.0
  Zr  Zr2  1  -0.0  0.0  0.91  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

K K Zr Si