data_[Sr1Ni1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  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 [4.5819]
_cell_length_b [7.3666]
_cell_length_c [5.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrNiHg2F8]
_chemical_formula_sum '[Sr1 Ni1 Hg2 F8]'
_cell_volume [183.5368]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1
  Ni  Ni1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.5000  0.2341  0.5000  1
  F  F3  4  0.1221  0.2156  0.7782  1
  F  F4  2  0.3495  0.0000  0.2314  1
  F  F5  2  0.4409  0.5000  0.2530  1
]