data_KHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   141.75
_cell_angle_beta   141.75
_cell_angle_gamma   55.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgW2
_chemical_formula_sum   'K1 Hg1 W2'
_cell_volume   84.06
_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  K1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.36  1.0
  W  W2  1  0.98  0.0  0.68  1.0
  W  W3  1  0.0  0.98  0.68  1.0

data_KHgW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   117.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHgW2
_chemical_formula_sum   'K2 Hg2 W4'
_cell_volume   168.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.64  1.0
  W  W2  4  0.49  0.49  0.3  1.0

K Hg W W