data_[K4Li4Mg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9078]
_cell_length_b [7.7619]
_cell_length_c [7.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Li2MgBr6]
_chemical_formula_sum '[K4 Li4 Mg2 Br12]'
_cell_volume [711.4005]
_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  0.2089  0.5000  0.1573  1
  Li  Li1  4  0.0660  0.0000  0.2886  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  Br  Br3  8  0.0545  0.2583  0.7779  1
  Br  Br4  4  0.2248  0.5000  0.5757  1
]