data_MgInHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   151.79
_cell_angle_beta   151.79
_cell_angle_gamma   40.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInHg
_chemical_formula_sum   'Mg1 In1 Hg1'
_cell_volume   71.73
_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
  Mg  Mg2  1  0.0  0.0  0.49  1.0
  In  In1  1  0.0  0.0  0.23  1.0
  Hg  Hg0  1  0.0  0.0  0.15  1.0

data_MgInHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   110.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInHg
_chemical_formula_sum   'Mg2 In2 Hg2'
_cell_volume   143.46
_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
  Mg  Mg0  2  0.0  0.0  0.51  1.0
  In  In1  2  0.0  0.0  0.77  1.0
  Hg  Hg2  2  0.0  0.0  0.85  1.0

Mg In Hg
Mg In Hg 0 1 o o o 1 2 o o o 