data_[Ba1Zn1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7317]
_cell_length_b [7.6263]
_cell_length_c [5.4861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaZnHg2F8]
_chemical_formula_sum '[Ba1 Zn1 Hg2 F8]'
_cell_volume [197.9479]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.5000  0.2303  0.5000  1
  F  F3  4  0.1387  0.2059  0.2251  1
  F  F4  2  0.3343  0.0000  0.7592  1
  F  F5  2  0.4597  0.5000  0.7385  1
]