data_[K2Ga2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1772]
_cell_length_b [5.9826]
_cell_length_c [6.9079]
_cell_angle_alpha [99.3151]
_cell_angle_beta [103.6040]
_cell_angle_gamma [105.4872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KGaSi]
_chemical_formula_sum '[K2 Ga2 Si2]'
_cell_volume [156.9753]
_cell_formula_units_Z [2]
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  2  0.2516  0.2839  0.1324  1.0
  Ga  Ga1  2  0.0207  0.7072  0.4516  1.0
  Si  Si2  2  0.4525  0.1118  0.6604  1.0
]