data_[Mg2Zn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6114]
_cell_length_b [3.1462]
_cell_length_c [5.4619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgZnF4]
_chemical_formula_sum '[Mg2 Zn2 F8]'
_cell_volume [156.6579]
_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  0.5000  0.5000  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  F  F2  4  0.1044  0.0000  0.4439  1
  F  F3  4  0.1058  0.5000  0.9326  1
]