data_K2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GaSi
_chemical_formula_sum   'K2 Ga1 Si1'
_cell_volume   136.17
_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  0.0  0.0  0.81  1.0
  K  K2  1  0.58  0.0  0.71  1.0
  Ga  Ga0  1  0.58  0.0  0.39  1.0
  Si  Si3  1  0.0  0.0  0.19  1.0

data_K2GaSi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2GaSi
_chemical_formula_sum   'K2 Ga1 Si1'
_cell_volume   136.19
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.81  1.0
  K  K1  1  0.58  0.0  0.71  1.0
  Ga  Ga2  1  0.58  0.0  0.39  1.0
  Si  Si3  1  0.0  0.0  0.19  1.0

K K Ga Si
K K Ga Si 0 1 - o o 2 3 o o o 2 3 + o o 