data_[K2Mg10Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.1901]
_cell_length_b [10.3553]
_cell_length_c [9.8502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KMg5Hg7]
_chemical_formula_sum '[K2 Mg10 Hg14]'
_cell_volume [631.3975]
_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
[
  K  K0  2  0.0000  0.0000  0.0067  1
  Mg  Mg1  8  0.2444  0.2563  0.7476  1
  Mg  Mg2  2  0.0000  0.5000  0.2557  1
  Hg  Hg3  4  0.0000  0.3064  0.4879  1
  Hg  Hg4  4  0.0000  0.3357  0.0067  1
  Hg  Hg5  2  0.0000  0.0000  0.3523  1
  Hg  Hg6  2  0.0000  0.0000  0.6730  1
  Hg  Hg7  2  0.0000  0.5000  0.7328  1
]