data_[Mg4Bi4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.3878]
_cell_length_b [6.7283]
_cell_length_c [8.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MgBiF5]
_chemical_formula_sum '[Mg4 Bi4 F20]'
_cell_volume [475.9849]
_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
[
  Mg  Mg0  4  0.4995  0.0135  0.7544  1
  Bi  Bi1  4  0.4996  0.4979  0.0041  1
  F  F2  4  0.0164  0.3124  0.9258  1
  F  F3  4  0.2318  0.4643  0.3595  1
  F  F4  4  0.2673  0.0398  0.6445  1
  F  F5  4  0.4848  0.1746  0.0680  1
  F  F6  4  0.4991  0.3382  0.7531  1
]