data_K4HgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   28.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4HgAs2
_chemical_formula_sum   'K4 Hg1 As2'
_cell_volume   774.8
_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  K3  1  0.67  0.33  0.54  1.0
  K  K4  1  1.0  0.0  0.79  1.0
  K  K5  1  0.67  0.33  0.72  1.0
  K  K6  1  1.0  0.0  0.62  1.0
  Hg  Hg2  1  0.33  0.67  0.67  1.0
  As  As0  1  0.33  0.67  0.58  1.0
  As  As1  1  0.33  0.67  0.76  1.0

K K K K Hg As As 0 5 o - o 0 5 o o o 0 5 + o o 0 3 - o o 0 3 o o o 0 3 o + o 1 6 o - o 1 6 + - o 1 6 + o o 1 2 o o o 1 2 o - o 1 2 + o o 2 4 o - o 2 4 o o o 2 4 + o o 2 6 o - o 2 6 o o o 2 6 + o o 3 5 o - o 3 5 + - o 3 5 + o o 3 4 o - o 3 4 + - o 3 4 + o o 4 5 o o o 4 6 o o o 
data_K4HgAs2
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   28.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   K4HgAs2
_chemical_formula_sum   'K4 Hg1 As2'
_cell_volume   774.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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  0.33  0.67  0.38  1.0
  K  K1  2  0.33  0.67  0.55  1.0
  Hg  Hg2  1  0.0  0.0  0.5  1.0
  As  As3  2  0.0  0.0  0.41  1.0
