data_[K1Cu2Si1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9214]
_cell_length_b [5.0501]
_cell_length_c [7.4303]
_cell_angle_alpha [95.2387]
_cell_angle_beta [104.5944]
_cell_angle_gamma [96.8591]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCu2SiF8]
_chemical_formula_sum '[K1 Cu2 Si1 F8]'
_cell_volume [176.0096]
_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
  Cu  Cu1  2  0.3678  0.5009  0.2813  1.0
  Si  Si2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1018  0.8255  0.8290  1.0
  F  F4  2  0.1794  0.8149  0.1663  1.0
  F  F5  2  0.3003  0.2415  0.0427  1.0
  F  F6  2  0.4329  0.7203  0.5308  1.0
]