data_[K34Cd22Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6258]
_cell_length_b [17.8198]
_cell_length_c [11.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K17Cd11Ga]
_chemical_formula_sum '[K34 Cd22 Ga2]'
_cell_volume [2450.9198]
_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  4  0.0240  0.3044  0.7218  1
  K  K1  4  0.1705  0.1763  0.5759  1
  K  K2  4  0.1863  0.1873  1.0000  1
  K  K3  4  0.2885  0.2920  0.3504  1
  K  K4  4  0.4564  0.1141  0.9948  1
  K  K5  4  0.4774  0.1229  0.3511  1
  K  K6  2  0.2136  0.5000  0.7073  1
  K  K7  2  0.2159  0.5000  0.3134  1
  K  K8  2  0.3531  0.0000  0.6049  1
  K  K9  2  0.4970  0.5000  0.9989  1
  K  K10  2  0.4998  0.5000  0.3735  1
  Cd  Cd11  4  0.2002  0.0874  0.2816  1
  Cd  Cd12  4  0.2677  0.4123  0.0371  1
  Cd  Cd13  4  0.3625  0.3206  0.8588  1
  Cd  Cd14  4  0.4556  0.4089  0.6867  1
  Cd  Cd15  4  0.4906  0.3194  0.1706  1
  Cd  Cd16  2  0.1774  0.0000  0.8305  1
  Ga  Ga17  2  0.2840  0.0000  0.1141  1
]