data_[Mg4Mo4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8846]
_cell_length_b [6.5564]
_cell_length_c [7.7324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgMoF5]
_chemical_formula_sum '[Mg4 Mo4 F20]'
_cell_volume [405.3470]
_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  0.0000  0.4837  0.7500  1.0
  Mo  Mo1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0096  0.3117  0.4474  1.0
  F  F3  8  0.2411  0.4694  0.8653  1.0
  F  F4  4  0.0000  0.1392  0.7500  1.0
]