data_[Na2Ca1Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  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 [4.0303]
_cell_length_b [7.6462]
_cell_length_c [5.4685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CaHgF8]
_chemical_formula_sum '[Na2 Ca1 Hg1 F8]'
_cell_volume [168.0202]
_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
[
  Na  Na0  2  0.5000  0.2518  0.5000  1.0
  Ca  Ca1  1  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0413  0.2370  0.7633  1.0
  F  F4  2  0.4422  0.0000  0.2393  1.0
  F  F5  2  0.4997  0.5000  0.2402  1.0
]