data_[Mn2Cu4Hg2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.9523]
_cell_length_b [6.9523]
_cell_length_c [7.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [MnCu2HgF8]
_chemical_formula_sum '[Mn2 Cu4 Hg2 F16]'
_cell_volume [344.4271]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.2500  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.0000  0.5000  0.7500  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  F  F4  8  0.0000  0.2038  0.3120  1
  F  F5  8  0.0000  0.3217  0.9558  1
]