data_[K1La1Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5254]
_cell_length_b [6.5510]
_cell_length_c [9.0677]
_cell_angle_alpha [79.9926]
_cell_angle_beta [80.7310]
_cell_angle_gamma [80.0621]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLaMg2Cl8]
_chemical_formula_sum '[K1 La1 Mg2 Cl8]'
_cell_volume [372.5516]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4624  0.4552  0.7045  1.0
  Cl  Cl3  2  0.1919  0.7376  0.2375  1.0
  Cl  Cl4  2  0.2260  0.7736  0.7731  1.0
  Cl  Cl5  2  0.3036  0.2611  0.9437  1.0
  Cl  Cl6  2  0.3499  0.3134  0.5089  1.0
]