data_KHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   146.84
_cell_angle_beta   126.64
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgAs2
_chemical_formula_sum   'K1 Hg1 As2'
_cell_volume   117.05
_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  0.0  0.0  0.38  1.0
  Hg  Hg2  1  0.84  0.0  0.14  1.0
  As  As0  1  0.84  0.0  0.64  1.0
  As  As1  1  0.0  0.0  0.25  1.0

data_KHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.8
_cell_length_c   6.46
_cell_angle_alpha   116.68
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgAs2
_chemical_formula_sum   'K1 Hg1 As2'
_cell_volume   117.05
_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  0.62  0.62  0.62  1.0
  Hg  Hg1  1  0.7  0.86  0.7  1.0
  As  As2  1  0.21  0.36  0.21  1.0
  As  As3  1  0.75  0.75  0.75  1.0

K Hg As As