data_[K4Ba2Mg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4139]
_cell_length_b [7.7473]
_cell_length_c [12.8778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2BaMgCl6]
_chemical_formula_sum '[K4 Ba2 Mg2 Cl12]'
_cell_volume [610.9340]
_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  0.2239  0.5679  0.7491  1.0
  Ba  Ba1  2  0.5000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1072  0.7253  0.4347  1.0
  Cl  Cl4  4  0.2193  0.1801  0.4446  1.0
  Cl  Cl5  4  0.3374  0.5413  0.2231  1.0
]