data_[K1Y1Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  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 [6.4620]
_cell_length_b [6.4734]
_cell_length_c [8.8556]
_cell_angle_alpha [80.0316]
_cell_angle_beta [79.7367]
_cell_angle_gamma [79.6623]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KYMg2Cl8]
_chemical_formula_sum '[K1 Y1 Mg2 Cl8]'
_cell_volume [354.7632]
_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
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4531  0.4568  0.7123  1.0
  Cl  Cl3  2  0.2108  0.7643  0.2206  1.0
  Cl  Cl4  2  0.2508  0.8027  0.7756  1.0
  Cl  Cl5  2  0.2623  0.2808  0.9536  1.0
  Cl  Cl6  2  0.3234  0.3388  0.5082  1.0
]