data_[K2Mg12Ti2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2809]
_cell_length_b [6.6507]
_cell_length_c [11.2794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KMg6Ti]
_chemical_formula_sum '[K2 Mg12 Ti2]'
_cell_volume [396.1542]
_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  0.5000  0.0000  0.4163  1
  Mg  Mg1  4  0.0000  0.2384  0.8315  1
  Mg  Mg2  4  0.5000  0.2317  0.1599  1
  Mg  Mg3  2  0.0000  0.0000  0.5937  1
  Mg  Mg4  2  0.5000  0.0000  0.9234  1
  Ti  Ti5  2  0.0000  0.0000  0.0839  1
]