data_[Cs8Li4Mg4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5021]
_cell_length_b [16.7747]
_cell_length_c [11.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiMgF5]
_chemical_formula_sum '[Cs8 Li4 Mg4 F20]'
_cell_volume [687.2239]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.1173  0.6887  1.0
  Cs  Cs1  4  0.0000  0.1254  0.3089  1.0
  Li  Li2  4  0.0000  0.4250  0.4483  1.0
  Mg  Mg3  4  0.0000  0.2060  0.0147  1.0
  F  F4  4  0.0000  0.0878  0.0188  1.0
  F  F5  4  0.0000  0.2920  0.6215  1.0
  F  F6  4  0.0000  0.3112  0.4014  1.0
  F  F7  4  0.0000  0.3204  0.0002  1.0
  F  F8  4  0.0000  0.4874  0.3215  1.0
]