data_MnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg
_chemical_formula_sum   'Mn4 Hg4'
_cell_volume   152.21
_cell_formula_units_Z   4
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  Mn4  1  0.0  0.0  0.97  1.0
  Mn  Mn5  1  0.0  0.0  0.32  1.0
  Mn  Mn6  1  0.0  0.51  0.32  1.0
  Mn  Mn7  1  0.17  0.26  0.97  1.0
  Hg  Hg0  1  0.0  0.51  0.43  1.0
  Hg  Hg1  1  0.17  0.26  0.78  1.0
  Hg  Hg2  1  0.17  0.26  0.87  1.0
  Hg  Hg3  1  0.0  0.51  0.52  1.0

data_MnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg
_chemical_formula_sum   'Mn4 Hg4'
_cell_volume   152.21
_cell_formula_units_Z   4
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  0.0  0.32  1.0
  Mn  Mn1  1  0.0  0.0  0.97  1.0
  Mn  Mn2  1  0.0  0.51  0.32  1.0
  Mn  Mn3  1  0.17  0.26  0.97  1.0
  Hg  Hg4  1  0.0  0.51  0.43  1.0
  Hg  Hg5  1  0.0  0.51  0.52  1.0
  Hg  Hg6  1  0.17  0.26  0.78  1.0
  Hg  Hg7  1  0.17  0.26  0.87  1.0

Mn Mn Mn Mn Hg Hg Hg Hg