data_[K2Li2Ca2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6461]
_cell_length_b [5.6493]
_cell_length_c [7.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiCaF4]
_chemical_formula_sum '[K2 Li2 Ca2 F8]'
_cell_volume [218.7242]
_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  0.2928  0.2500  0.0666  1.0
  Li  Li1  2  0.2387  0.7500  0.3173  1.0
  Ca  Ca2  2  0.2122  0.2500  0.5467  1.0
  F  F3  4  0.0082  0.5106  0.3006  1.0
  F  F4  2  0.4476  0.7500  0.1715  1.0
  F  F5  2  0.4598  0.7500  0.5668  1.0
]