data_K2CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   5.05
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuSi
_chemical_formula_sum   'K2 Cu1 Si1'
_cell_volume   111.25
_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  K1  1  0.81  0.52  0.37  1.0
  K  K2  1  0.91  0.52  0.45  1.0
  Cu  Cu0  1  0.96  0.0  0.91  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_K2CuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.05
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuSi
_chemical_formula_sum   'K2 Cu1 Si1'
_cell_volume   111.25
_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  0.81  0.52  0.37  1.0
  K  K1  1  0.91  0.52  0.45  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.96  0.0  0.91  1.0

K K Cu Si
K K Cu Si 0 1 o o o 2 3 + o + 