data_NaHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   128.16
_cell_angle_beta   122.64
_cell_angle_gamma   80.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Mo
_chemical_formula_sum   'Na1 Hg2 Mo1'
_cell_volume   79.56
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.4  0.8  1.0
  Hg  Hg1  1  0.18  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.8  1.0

data_NaHg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.79
_cell_length_c   5.0
_cell_angle_alpha   118.68
_cell_angle_beta   115.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Mo
_chemical_formula_sum   'Na1 Hg2 Mo1'
_cell_volume   79.56
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.18  1.0  0.18  1.0
  Hg  Hg2  1  0.2  0.6  0.6  1.0
  Mo  Mo3  1  0.2  0.2  0.2  1.0

Na Hg Hg Mo