data_[K2Mg18Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8007]
_cell_length_b [14.4692]
_cell_length_c [7.6333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(Mg3Ga)3]
_chemical_formula_sum '[K2 Mg18 Ga6]'
_cell_volume [598.1338]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1005  0.3879  0.2190  1
  Mg  Mg2  8  0.1667  0.1781  0.3500  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
]