data_[Mg2Rh2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0290]
_cell_length_b [8.7899]
_cell_length_c [5.0220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgRhF6]
_chemical_formula_sum '[Mg2 Rh2 F12]'
_cell_volume [215.7781]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.2386  0.6433  0.7466  1.0
  F  F3  4  0.2496  0.5000  0.2617  1.0
]