data_KGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   147.45
_cell_angle_beta   117.73
_cell_angle_gamma   72.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSi2
_chemical_formula_sum   'K1 Ga1 Si2'
_cell_volume   100.06
_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  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.83  1.0
  Si  Si2  1  0.0  0.09  0.84  1.0
  Si  Si3  1  0.67  0.0  0.99  1.0

data_KGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   62.27
_cell_angle_beta   73.73
_cell_angle_gamma   73.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSi2
_chemical_formula_sum   'K1 Ga1 Si2'
_cell_volume   100.06
_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  0.0  1.0
  Ga  Ga1  1  0.83  0.0  0.17  1.0
  Si  Si2  1  0.32  0.67  0.01  1.0
  Si  Si3  1  0.84  0.0  0.25  1.0

K Ga Si Si