data_Mg2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   148.4
_cell_angle_beta   127.5
_cell_angle_gamma   62.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgMo
_chemical_formula_sum   'Mg2 Hg1 Mo1'
_cell_volume   75.24
_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  0.55  0.0  0.45  1.0
  Mg  Mg2  1  0.0  0.51  0.4  1.0
  Hg  Hg0  1  0.0  0.0  0.85  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   3.09
_cell_length_b   5.02
_cell_length_c   5.68
_cell_angle_alpha   116.25
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgMo
_chemical_formula_sum   'Mg2 Hg1 Mo1'
_cell_volume   75.24
_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  0.1  0.55  0.1  1.0
  Mg  Mg1  1  0.6  0.11  0.11  1.0
  Hg  Hg2  1  0.15  0.15  0.15  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Mg Mg Hg Mo