data_Mg2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.88
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   116.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgMo
_chemical_formula_sum   'Mg2 Hg1 Mo1'
_cell_volume   75.07
_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  Mg1  1  0.93  0.62  0.33  1.0
  Mg  Mg2  1  0.93  0.38  0.33  1.0
  Hg  Hg0  1  0.96  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Mg2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.51
_cell_length_c   5.6
_cell_angle_alpha   117.51
_cell_angle_beta   101.53
_cell_angle_gamma   96.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgMo
_chemical_formula_sum   'Mg2 Hg1 Mo1'
_cell_volume   75.07
_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  Mg0  1  0.71  0.38  0.31  1.0
  Mg  Mg1  1  0.96  0.62  0.55  1.0
  Hg  Hg2  1  -0.0  0.0  0.96  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Mg Mg Hg Mo