data_[K2Mg4Ti2Cl16]
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
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8126]
_cell_length_b [7.8942]
_cell_length_c [8.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMg2TiCl8]
_chemical_formula_sum '[K2 Mg4 Ti2 Cl16]'
_cell_volume [652.7266]
_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  0.5000  1.0
  Mg  Mg1  4  0.0500  0.5000  0.7200  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0252  0.2208  0.2096  1.0
  Cl  Cl4  4  0.1696  0.5000  0.5097  1.0
  Cl  Cl5  4  0.2483  0.0000  0.0354  1.0
]