data_KGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.36
_cell_length_c   3.19
_cell_angle_alpha   79.15
_cell_angle_beta   76.01
_cell_angle_gamma   24.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaSi
_chemical_formula_sum   'K1 Ga1 Si1'
_cell_volume   70.95
_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  0.1  0.39  0.44  1.0
  Ga  Ga0  1  0.1  0.39  0.77  1.0
  Si  Si2  1  0.1  0.39  0.01  1.0

data_KGaSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   14.11
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   131.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KGaSi
_chemical_formula_sum   'K2 Ga2 Si2'
_cell_volume   141.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.06  0.0  0.46  1.0
  Ga  Ga1  2  0.24  0.5  0.13  1.0
  Si  Si2  2  0.5  0.0  0.89  1.0

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