data_MnSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.64
_cell_angle_alpha   103.35
_cell_angle_beta   103.35
_cell_angle_gamma   36.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnHg2
_chemical_formula_sum   'Mn1 Sn1 Hg2'
_cell_volume   89.9
_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
  Mn  Mn2  1  0.23  0.0  0.76  1.0
  Sn  Sn3  1  0.33  0.0  0.92  1.0
  Hg  Hg0  1  0.02  0.0  0.1  1.0
  Hg  Hg1  1  0.23  0.0  0.43  1.0

data_MnSnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.23
_cell_length_c   5.64
_cell_angle_alpha   103.35
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnHg2
_chemical_formula_sum   'Mn1 Sn1 Hg2'
_cell_volume   89.9
_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
  Mn  Mn0  1  0.0  0.77  0.24  1.0
  Sn  Sn1  1  0.0  0.67  0.08  1.0
  Hg  Hg2  1  0.0  0.77  0.57  1.0
  Hg  Hg3  1  0.0  0.98  0.9  1.0

Mn Sn Hg Hg