data_[K6Mg3Ge3Br18]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7002]
_cell_length_b [7.7002]
_cell_length_c [18.6779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2MgGeBr6]
_chemical_formula_sum '[K6 Mg3 Ge3 Br18]'
_cell_volume [959.1023]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0520  1.0
  K  K1  3  0.0000  0.0000  0.5530  1.0
  Mg  Mg2  3  0.0000  0.0000  0.3168  1.0
  Ge  Ge3  3  0.0000  0.0000  0.8167  1.0
  Br  Br4  9  0.0104  0.5776  0.0692  1.0
  Br  Br5  9  0.0967  0.3391  0.9051  1.0
]