data_[K1Ga1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1068]
_cell_length_b [5.3172]
_cell_length_c [7.4071]
_cell_angle_alpha [83.5955]
_cell_angle_beta [86.7980]
_cell_angle_gamma [89.0514]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KGaHg2F8]
_chemical_formula_sum '[K1 Ga1 Hg2 F8]'
_cell_volume [199.5527]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4609  0.4644  0.7560  1.0
  F  F3  2  0.1334  0.7773  0.1960  1.0
  F  F4  2  0.1690  0.8174  0.8217  1.0
  F  F5  2  0.3078  0.2364  0.9985  1.0
  F  F6  2  0.4172  0.2703  0.4716  1.0
]