data_KHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   5.5
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg2Mo
_chemical_formula_sum   'K1 Hg2 Mo1'
_cell_volume   88.78
_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  0.13  0.0  0.21  1.0
  Hg  Hg0  1  0.56  0.0  0.95  1.0
  Hg  Hg1  1  0.56  0.75  0.91  1.0
  Mo  Mo3  1  0.02  0.75  0.77  1.0

data_KHg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.5
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg2Mo
_chemical_formula_sum   'K1 Hg2 Mo1'
_cell_volume   88.78
_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  0.13  0.0  0.21  1.0
  Hg  Hg1  1  0.56  0.0  0.95  1.0
  Hg  Hg2  1  0.56  0.75  0.91  1.0
  Mo  Mo3  1  0.02  0.75  0.77  1.0

K Hg Hg Mo