data_K2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.49
_cell_angle_alpha   120.45
_cell_angle_beta   120.45
_cell_angle_gamma   50.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgAs
_chemical_formula_sum   'K2 Hg1 As1'
_cell_volume   148.35
_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  K2  1  0.98  0.0  0.24  1.0
  K  K3  1  0.21  0.0  0.13  1.0
  Hg  Hg1  1  0.59  0.0  0.69  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_K2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.1
_cell_length_b   5.98
_cell_length_c   6.21
_cell_angle_alpha   64.29
_cell_angle_beta   65.75
_cell_angle_gamma   64.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgAs
_chemical_formula_sum   'K2 Hg1 As1'
_cell_volume   148.35
_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  0.0  0.08  0.13  1.0
  K  K1  1  0.0  0.74  0.24  1.0
  Hg  Hg2  1  0.0  0.91  0.69  1.0
  As  As3  1  0.0  0.0  0.0  1.0

K K Hg As