data_[K4Ga4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.0784]
_cell_length_b [4.0880]
_cell_length_c [7.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KGaSn]
_chemical_formula_sum '[K4 Ga4 Sn4]'
_cell_volume [404.2080]
_cell_formula_units_Z [4]
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  0.1837  0.0000  0.0073  1.0
  K  K1  2  0.3521  0.5000  0.6894  1.0
  Ga  Ga2  2  0.0352  0.5000  0.5703  1.0
  Ga  Ga3  2  0.1345  0.0000  0.4824  1.0
  Sn  Sn4  2  0.0287  0.5000  0.1611  1.0
  Sn  Sn5  2  0.4101  0.5000  0.2633  1.0
]