data_KGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.73
_cell_angle_alpha   99.53
_cell_angle_beta   99.53
_cell_angle_gamma   47.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSi2
_chemical_formula_sum   'K1 Ga1 Si2'
_cell_volume   104.51
_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  0.64  0.0  0.31  1.0
  Si  Si2  1  0.37  0.0  0.15  1.0
  Si  Si3  1  0.92  0.0  0.47  1.0

data_KGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.64
_cell_length_c   6.73
_cell_angle_alpha   99.53
_cell_angle_beta   90.0
_cell_angle_gamma   113.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSi2
_chemical_formula_sum   'K1 Ga1 Si2'
_cell_volume   104.51
_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  0.0  0.36  0.69  1.0
  Si  Si2  1  0.0  0.08  0.53  1.0
  Si  Si3  1  0.0  0.63  0.85  1.0

K Ga Si Si