data_MgIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   134.53
_cell_angle_beta   134.53
_cell_angle_gamma   66.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Hg
_chemical_formula_sum   'Mg1 In2 Hg1'
_cell_volume   98.4
_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  Mg3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.25  0.44  1.0
  In  In2  1  0.25  0.0  0.44  1.0
  Hg  Hg0  1  0.0  0.0  0.87  1.0

data_MgIn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   123.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIn2Hg
_chemical_formula_sum   'Mg2 In4 Hg2'
_cell_volume   196.8
_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  0.0  1.0
  In  In1  4  0.38  0.38  0.19  1.0
  Hg  Hg2  2  0.0  0.0  0.87  1.0

Mg In In Hg