data_ZrInHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.51
_cell_length_c   3.21
_cell_angle_alpha   82.26
_cell_angle_beta   73.54
_cell_angle_gamma   24.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInHg
_chemical_formula_sum   'Zr1 In1 Hg1'
_cell_volume   69.79
_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
  Zr  Zr2  1  0.8  0.66  0.88  1.0
  In  In1  1  0.8  0.66  0.73  1.0
  Hg  Hg0  1  0.8  0.66  0.55  1.0

data_ZrInHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.6
_cell_length_b   14.58
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   124.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrInHg
_chemical_formula_sum   'Zr2 In2 Hg2'
_cell_volume   139.59
_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
  Zr  Zr0  2  0.38  0.5  0.69  1.0
  In  In1  2  0.23  0.5  0.53  1.0
  Hg  Hg2  2  0.05  0.5  0.35  1.0

Zr In Hg