data_[Mg4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3981]
_cell_length_b [13.5875]
_cell_length_c [16.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgF2]
_chemical_formula_sum '[Mg4 F8]'
_cell_volume [777.0903]
_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  2  0.4994  0.2508  0.4996  1
  Mg  Mg1  1  0.4884  0.0000  0.5046  1
  Mg  Mg2  1  0.5129  0.5000  0.4954  1
  F  F3  2  0.4935  0.1239  0.4525  1
  F  F4  2  0.5074  0.3740  0.4463  1
  F  F5  2  0.9995  0.2524  0.5500  1
  F  F6  1  0.0127  0.5000  0.5458  1
  F  F7  1  0.9887  0.0000  0.5550  1
]