data_[K2Hg2Bi1As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8441]
_cell_length_b [4.8441]
_cell_length_c [10.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K2Hg2BiAs]
_chemical_formula_sum '[K2 Hg2 Bi1 As1]'
_cell_volume [211.0241]
_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  0.6667  0.3333  0.2298  1
  K  K1  1  0.6667  0.3333  0.7645  1
  Hg  Hg2  1  0.0000  0.0000  0.0010  1
  Hg  Hg3  1  0.3333  0.6667  0.5295  1
  Bi  Bi4  1  0.0000  0.0000  0.4803  1
  As  As5  1  0.3333  0.6667  0.9948  1
]