data_K2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   40.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InHg
_chemical_formula_sum   'K2 In1 Hg1'
_cell_volume   166.51
_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  0.58  0.0  0.86  1.0
  K  K3  1  0.0  0.0  0.81  1.0
  In  In1  1  0.0  0.0  0.95  1.0
  Hg  Hg0  1  0.58  0.0  0.59  1.0

data_K2InHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.17
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   110.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InHg
_chemical_formula_sum   'K2 In1 Hg1'
_cell_volume   166.51
_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  0.14  0.58  0.14  1.0
  K  K1  1  0.19  0.0  0.19  1.0
  In  In2  1  0.05  0.0  0.05  1.0
  Hg  Hg3  1  0.41  0.58  0.41  1.0

K K In Hg
K K In Hg 0 1 + o o 0 3 o o o 0 2 + o o 1 2 o o o 