data_[K6Mg2Ag6Br16]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0141]
_cell_length_b [8.4424]
_cell_length_c [8.9557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3MgAg3Br8]
_chemical_formula_sum '[K6 Mg2 Ag6 Br16]'
_cell_volume [947.3928]
_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  0.2500  0.2500  0.0000  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Ag  Ag3  4  0.2500  0.2500  0.5000  1
  Ag  Ag4  2  0.0000  0.5000  0.5000  1
  Br  Br5  8  0.0067  0.2344  0.2961  1
  Br  Br6  4  0.2203  0.0000  0.6973  1
  Br  Br7  4  0.2394  0.5000  0.7067  1
]