data_[K3Mg1Cu2F9]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0653]
_cell_length_b [4.0653]
_cell_length_c [12.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K3MgCu2F9]
_chemical_formula_sum '[K3 Mg1 Cu2 F9]'
_cell_volume [202.1301]
_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  2  0.0000  0.0000  0.1676  1.0
  K  K1  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu3  2  0.5000  0.5000  0.3334  1.0
  F  F4  4  0.0000  0.5000  0.3336  1.0
  F  F5  2  0.0000  0.5000  0.0000  1.0
  F  F6  2  0.5000  0.5000  0.1650  1.0
  F  F7  1  0.5000  0.5000  0.5000  1.0
]